Cas no 6874-10-8 (1,3,7-Octatriene, 3,7-dimethyl-, (3E)-)
6874-10-8 structure
Product Name:1,3,7-Octatriene, 3,7-dimethyl-, (3E)-
1,3,7-Octatriene, 3,7-dimethyl-, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,7-Octatriene, 3,7-dimethyl-, (3E)-
- 3,7-Dimethyl-1,3,7-octatriene #
- ESJ648Z6YA
- (3E)-alpha-ocimene
- LMPR0102010023
- OCIMENE TRANS-.ALPHA.-FORM
- .ALPHA.-OCIMENE, (3E)-
- XJPBRODHZKDRCB-CSKARUKUSA-N
- Q26776996
- .ALPHA.-OCIMENE, (E)-
- trans-alpha-Ocimene
- UNII-8DBO41SLJL
- DTXSID001042902
- OCIMENE, TRANS-.ALPHA.-
- 2,6-Dimethyl-1,5,7-octatriene
- 6874-10-8
- alpha-Ocimene, (3E)-
- (E)-alpha-ocimene
- .ALPHA.-TRANS-OCIMENE
- Ocimene trans-alpha-form
- 8DBO41SLJL
- NS00093938
- Ocimene trans-alpha-form [MI]
- EINECS 207-957-5
- 3,7-dimethyl-1,3E,7-octatriene
- 502-99-8
- TRANS-.ALPHA.-OCIMENE
- UNII-ESJ648Z6YA
- alpha-Ocimene, (E)-
- alpha-Ocimene
- OCIMENE TRANS-.ALPHA.-FORM [MI]
- 1,3,7-Octatriene, 3,7-dimethyl-
- (3E)-3,7-dimethylocta-1,3,7-triene
- 3,7-Dimethylocta-1,3,7-triene
- alpha-trans-Ocimene
- alpha-cis-ocimene
- e-alpha-ocimene
-
- Inchi： 1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
- InChI Key： XJPBRODHZKDRCB-CSKARUKUSA-N
- SMILES： C(C(=C)C)C/C=C(/C=C)\C
Computed Properties
- Exact Mass: 136.12528
- Monoisotopic Mass: 136.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,3,7-Octatriene, 3,7-dimethyl-, (3E)- Related Literature
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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