(3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol

C10H16OS — CID 134341186

IUPAC(3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C/C)CCCS
InChIInChI=1S/C10H16OS/c1-3-10(5-4-8-12)7-6-9(2)11/h3,6-7,11-12H,2,4-5,8H2,1H3/b7-6-,10-3-
InChIKeyIBTRINJOXBIZOW-UZEQNSMNSA-N
MW184.30 g/mol
LogP3.27
Rot. Bonds5

About (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol

(3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol (PubChem CID 134341186) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol
PubChem CID134341186
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol
SMILESC=C(O)/C=C\C(=C/C)CCCS
InChIInChI=1S/C10H16OS/c1-3-10(5-4-8-12)7-6-9(2)11/h3,6-7,11-12H,2,4-5,8H2,1H3/b7-6-,10-3-
InChIKeyIBTRINJOXBIZOW-UZEQNSMNSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol?
The IUPAC name of (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol (CID 134341186) is (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol.
What is the SMILES notation for (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol?
The canonical SMILES for (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol is C=C(O)/C=C\C(=C/C)CCCS.
What is the InChIKey of (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol?
The InChIKey is IBTRINJOXBIZOW-UZEQNSMNSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-10(5-4-8-12)7-6-9(2)11/h3,6-7,11-12H,2,4-5,8H2,1H3/b7-6-,10-3-.
What are the key properties of (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol?
(3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol has a molecular weight of 184.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethylidene-8-sulfanylocta-1,3-dien-2-ol is sourced from PubChem (CID 134341186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).