(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol

C7H12OS — CID 89366187

IUPAC(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
SMILESC/C(=C\C=C/S)CCO
InChIInChI=1S/C7H12OS/c1-7(4-5-8)3-2-6-9/h2-3,6,8-9H,4-5H2,1H3/b6-2-,7-3+
InChIKeyUXMHMBBAVJVWIV-MFDSWNTHSA-N
MW144.24 g/mol
LogP1.76
Rot. Bonds3

About (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol

(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol (PubChem CID 89366187) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
PubChem CID89366187
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
SMILESC/C(=C\C=C/S)CCO
InChIInChI=1S/C7H12OS/c1-7(4-5-8)3-2-6-9/h2-3,6,8-9H,4-5H2,1H3/b6-2-,7-3+
InChIKeyUXMHMBBAVJVWIV-MFDSWNTHSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-sulfanylhex-3-en-1-ol
CID 130131485
(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
CID 11040823
3-Methylhexa-3,5-dien-1-ol
CID 53969213
2-Sulfanylhexa-3,5-dien-1-ol
CID 88653745
(3E)-3-methylhexa-3,5-dien-1-ol
CID 88803651
(3Z,5E)-2-methylidene-5-sulfanylhepta-3,5-dien-1-ol
CID 89074754
(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol
CID 89366181
1-Sulfanylpent-3-en-1-ol
CID 91592280
(3E,5E)-3-methyl-6-sulfanylocta-3,5,7-trien-1-ol
CID 130239649
(3Z,5Z)-3-ethenyl-6-(2-sulfanylethyl)octa-3,5,7-trien-1-ol
CID 138738701
(Z)-2-ethyl-1-sulfanylpent-3-en-1-ol
CID 143165372
(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol
CID 143683535

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol?
The IUPAC name of (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol (CID 89366187) is (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol.
What is the SMILES notation for (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol?
The canonical SMILES for (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol is C/C(=C\C=C/S)CCO.
What is the InChIKey of (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol?
The InChIKey is UXMHMBBAVJVWIV-MFDSWNTHSA-N. The full InChI is InChI=1S/C7H12OS/c1-7(4-5-8)3-2-6-9/h2-3,6,8-9H,4-5H2,1H3/b6-2-,7-3+.
What are the key properties of (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol?
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol has a molecular weight of 144.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol is sourced from PubChem (CID 89366187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).