3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol

C13H18OS — CID 123689040

IUPAC3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol
SMILESC=CSC(=C)C(C)=C1CCC(O)C1=CC
InChIInChI=1S/C13H18OS/c1-5-11-12(7-8-13(11)14)9(3)10(4)15-6-2/h5-6,13-14H,2,4,7-8H2,1,3H3
InChIKeyDPWVJENKXUWCGH-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.79
Rot. Bonds3

About 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol

3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol (PubChem CID 123689040) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol.

Molecular Properties

Compound Name3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol
PubChem CID123689040
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol
SMILESC=CSC(=C)C(C)=C1CCC(O)C1=CC
InChIInChI=1S/C13H18OS/c1-5-11-12(7-8-13(11)14)9(3)10(4)15-6-2/h5-6,13-14H,2,4,7-8H2,1,3H3
InChIKeyDPWVJENKXUWCGH-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-3-(methylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 10702344
1,6,7,11-Tetrahydrobenzo[d][1]benzothiepin-11-ol
CID 20232264
(4E)-4-ethenyl-2-methyl-2-(thiolan-1-ium-1-yl)hepta-4,6-dien-3-ol
CID 58205897
5,6-Dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol
CID 70483330
(4E)-2-butylsulfanyl-4-ethenyl-2-methylhepta-4,6-dien-3-ol
CID 118052443
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
6-(4-Hydroxypentylsulfanyl)cyclohexa-2,4-dien-1-ol
CID 138723781
2-Methyl-6-(octylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 141287824
Tert-butyl(trimethyl)-lambda4-sulfane;cyclopent-2-en-1-ol
CID 142254234
(1S,2R)-3-[(trimethyl-lambda4-sulfanyl)methyl]cyclohexa-3,5-diene-1,2-diol
CID 142838400
Ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 143175775
(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane
CID 143751467

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol?
The IUPAC name of 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol (CID 123689040) is 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol.
What is the SMILES notation for 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol?
The canonical SMILES for 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol is C=CSC(=C)C(C)=C1CCC(O)C1=CC.
What is the InChIKey of 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol?
The InChIKey is DPWVJENKXUWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-5-11-12(7-8-13(11)14)9(3)10(4)15-6-2/h5-6,13-14H,2,4,7-8H2,1,3H3.
What are the key properties of 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol?
3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol is sourced from PubChem (CID 123689040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).