Cas no 4117-11-7 ((9Z)-heptadeca-1,9-diene-4,6-diyn-3-one)
4117-11-7 structure
Product Name:(9Z)-heptadeca-1,9-diene-4,6-diyn-3-one
CAS No:4117-11-7
MF:C17H22O
MW:242.355985164642
CID:1515792
PubChem ID:5281150
Update Time:2025-04-21
(9Z)-heptadeca-1,9-diene-4,6-diyn-3-one Chemical and Physical Properties
Names and Identifiers
-
- (Z)-1,9-Heptadecadiene-4,6-diyn-3-one
- (9Z)-heptadeca-1,9-diene-4,6-diyn-3-one
- NS00094446
- 1,9-Heptadecadiene-4,6-diyn-3-one, (Z)-
- DTXSID10194101
- NCI60_018631
- Panaxynone
- 4117-11-7
- Falcarinone
- 1,9Z-heptadecadien-4,6-diyn-3-one
- NSC-653380
- Q27106601
- Falcarinon
- (Z)-Heptadeca-1,9-dien-4,6-diyn-3-one
- (9Z)-heptadeca-1,9-dien-4,6-diyn-3-one
- CHEMBL1973480
- UQEBOJRXTNLPKZ-KHPPLWFESA-N
- C08451
- (Z)-heptadeca-1,9Z-dien-4,6-diyn-3-one
- LMFA12000336
- AC1NQY45
- NSC653380
- CHEBI:4973
- 1,9-Heptadecadiene-4,6-diyn-3-one, (9Z)-
-
- Inchi： 1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3
- InChI Key： UQEBOJRXTNLPKZ-UHFFFAOYSA-N
- SMILES： O=C(C=C)C#CC#CCC=CCCCCCCC
Computed Properties
- Exact Mass: 242.16716
- Monoisotopic Mass: 242.167065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 400
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 6
Experimental Properties
- Density: 0.926
- Boiling Point: 342.9°C at 760 mmHg
- Flash Point: 141.5°C
- Refractive Index: 1.497
- PSA: 17.07
(9Z)-heptadeca-1,9-diene-4,6-diyn-3-one Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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