(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol

C11H16OS — CID 142237051

IUPAC(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol
SMILESC=CC(=C)/C(S)=C\C=C/CCCO
InChIInChI=1S/C11H16OS/c1-3-10(2)11(13)8-6-4-5-7-9-12/h3-4,6,8,12-13H,1-2,5,7,9H2/b6-4-,11-8+
InChIKeyAKTHJCQQQUQWPU-XSMBNUTRSA-N
MW196.31 g/mol
LogP2.87
Rot. Bonds6

About (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol

(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol (PubChem CID 142237051) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol.

Molecular Properties

Compound Name(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol
PubChem CID142237051
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol
SMILESC=CC(=C)/C(S)=C\C=C/CCCO
InChIInChI=1S/C11H16OS/c1-3-10(2)11(13)8-6-4-5-7-9-12/h3-4,6,8,12-13H,1-2,5,7,9H2/b6-4-,11-8+
InChIKeyAKTHJCQQQUQWPU-XSMBNUTRSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4E)-6-methylhepta-4,6-dien-1-ol
CID 14250391
(4E)-5-methylhepta-4,6-dien-1-ol
CID 101149402
5-Methylhepta-4,6-dien-1-ol
CID 85799636
3-Methylideneoct-4-en-1-ol
CID 85845519
3-(2-Hydroxyethyl)cyclohexa-2,4-diene-1-thione
CID 87226274
(3Z,4Z)-3-ethylidene-6-methylhepta-4,6-dien-1-ol
CID 88947547
(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol
CID 88961692
(3Z,4Z)-3-ethylidene-5-methylhepta-4,6-dien-1-ol
CID 88961777
(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol
CID 89074756
(Z,3Z)-3-ethylidenehept-4-en-1-ol
CID 89383764
5-Methyl-3-prop-1-enylhexa-3,5-dien-1-ol
CID 91334785
(4E)-3,7-dimethyl-3-sulfanylocta-4,6-dien-1-ol
CID 118437206

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol?
The IUPAC name of (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol (CID 142237051) is (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol.
What is the SMILES notation for (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol?
The canonical SMILES for (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol is C=CC(=C)/C(S)=C\C=C/CCCO.
What is the InChIKey of (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol?
The InChIKey is AKTHJCQQQUQWPU-XSMBNUTRSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-10(2)11(13)8-6-4-5-7-9-12/h3-4,6,8,12-13H,1-2,5,7,9H2/b6-4-,11-8+.
What are the key properties of (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol?
(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol is sourced from PubChem (CID 142237051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).