(3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane

C14H30OS — CID 143876716

IUPAC(3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane
SMILESC/C(=C\C=C(/C)CCS)CCO.CC.CC
InChIInChI=1S/C10H18OS.2C2H6/c1-9(5-7-11)3-4-10(2)6-8-12;2*1-2/h3-4,11-12H,5-8H2,1-2H3;2*1-2H3/b9-3+,10-4+;;
InChIKeyGFSRRRGINYRBOW-PCXJSBAJSA-N
MW246.46 g/mol
LogP4.63
Rot. Bonds5

About (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane

(3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane (PubChem CID 143876716) has the molecular formula C14H30OS and a molecular weight of 246.46 g/mol. Its IUPAC name is (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane.

Molecular Properties

Compound Name(3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane
PubChem CID143876716
Molecular FormulaC14H30OS
Molecular Weight246.46 g/mol
Exact Mass246.20
IUPAC Name(3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane
SMILESC/C(=C\C=C(/C)CCS)CCO.CC.CC
InChIInChI=1S/C10H18OS.2C2H6/c1-9(5-7-11)3-4-10(2)6-8-12;2*1-2/h3-4,11-12H,5-8H2,1-2H3;2*1-2H3/b9-3+,10-4+;;
InChIKeyGFSRRRGINYRBOW-PCXJSBAJSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 54.63
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

3,6-Dimethylhepta-3,5-dien-1-ol
CID 53858370
(3E)-3,6-dimethylhepta-3,5-dien-1-ol
CID 88803012
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
CID 89366187
(4E)-3,7-dimethyl-3-sulfanylocta-4,6-dien-1-ol
CID 118437206
3,7-Dimethyl-3-sulfanylocta-4,6-dien-1-ol
CID 123900011
(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
(4Z,6E)-8-methylidene-7-sulfanyldeca-4,6,9-trien-1-ol
CID 142237051
(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol
CID 143683535
3-[3-Methyl-5-(2-sulfanylethyl)cyclohepta-1,4,6-trien-1-yl]propan-1-ol
CID 143876791
(3E)-3-ethenyl-4-(sulfanylmethyl)hexa-3,5-dien-1-ol
CID 144842857
ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol
CID 144974171

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane?
The IUPAC name of (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane (CID 143876716) is (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane.
What is the SMILES notation for (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane?
The canonical SMILES for (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane is C/C(=C\C=C(/C)CCS)CCO.CC.CC.
What is the InChIKey of (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane?
The InChIKey is GFSRRRGINYRBOW-PCXJSBAJSA-N. The full InChI is InChI=1S/C10H18OS.2C2H6/c1-9(5-7-11)3-4-10(2)6-8-12;2*1-2/h3-4,11-12H,5-8H2,1-2H3;2*1-2H3/b9-3+,10-4+;;.
What are the key properties of (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane?
(3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane has a molecular weight of 246.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,6-dimethyl-8-sulfanylocta-3,5-dien-1-ol;ethane is sourced from PubChem (CID 143876716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).