(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol

C12H22OS — CID 143506435

IUPAC(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol
SMILESC/C=C(\C=C/C(C)SC)CCCCO
InChIInChI=1S/C12H22OS/c1-4-12(7-5-6-10-13)9-8-11(2)14-3/h4,8-9,11,13H,5-7,10H2,1-3H3/b9-8-,12-4-
InChIKeyNKBCWFWWTZPDMD-AVROOTCNSA-N
MW214.37 g/mol
LogP3.40
Rot. Bonds7

About (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol

(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol (PubChem CID 143506435) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol.

Molecular Properties

Compound Name(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol
PubChem CID143506435
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol
SMILESC/C=C(\C=C/C(C)SC)CCCCO
InChIInChI=1S/C12H22OS/c1-4-12(7-5-6-10-13)9-8-11(2)14-3/h4,8-9,11,13H,5-7,10H2,1-3H3/b9-8-,12-4-
InChIKeyNKBCWFWWTZPDMD-AVROOTCNSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol?
The IUPAC name of (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol (CID 143506435) is (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol.
What is the SMILES notation for (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol?
The canonical SMILES for (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol is C/C=C(\C=C/C(C)SC)CCCCO.
What is the InChIKey of (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol?
The InChIKey is NKBCWFWWTZPDMD-AVROOTCNSA-N. The full InChI is InChI=1S/C12H22OS/c1-4-12(7-5-6-10-13)9-8-11(2)14-3/h4,8-9,11,13H,5-7,10H2,1-3H3/b9-8-,12-4-.
What are the key properties of (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol?
(Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol has a molecular weight of 214.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-5-ethylidene-8-methylsulfanylnon-6-en-1-ol is sourced from PubChem (CID 143506435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).