(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol

C9H16OS — CID 16681244

IUPAC(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol
SMILESC=C(/C=C\CCCO)SCC
InChIInChI=1S/C9H16OS/c1-3-11-9(2)7-5-4-6-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-
InChIKeyDATBVBSQCAKRCV-ALCCZGGFSA-N
MW172.29 g/mol
LogP2.58
Rot. Bonds6

About (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol

(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol (PubChem CID 16681244) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol
PubChem CID16681244
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol
SMILESC=C(/C=C\CCCO)SCC
InChIInChI=1S/C9H16OS/c1-3-11-9(2)7-5-4-6-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-
InChIKeyDATBVBSQCAKRCV-ALCCZGGFSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2-(2,6-Octadienylthio)ethanol
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(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
CID 10632539
2-[(2E,6E,10E)-dodeca-2,6,10-trienyl]sulfanylethanol
CID 13643474
(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122254
(5Z,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122257
(4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 25122614
(5Z,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122635
2-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanylethanol
CID 42629848
2-Dodeca-2,6,10-trienylsulfanylethanol
CID 54464560
(4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492217
(4E,7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492221

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol?
The IUPAC name of (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol (CID 16681244) is (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol?
The canonical SMILES for (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol is C=C(/C=C\CCCO)SCC.
What is the InChIKey of (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol?
The InChIKey is DATBVBSQCAKRCV-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-11-9(2)7-5-4-6-8-10/h5,7,10H,2-4,6,8H2,1H3/b7-5-.
What are the key properties of (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol?
(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol is sourced from PubChem (CID 16681244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).