(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol

C11H20OS — CID 158690827

IUPAC(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol
SMILESCSC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C11H20OS/c1-10(7-8-12)5-4-6-11(2)9-13-3/h6-7,12H,4-5,8-9H2,1-3H3/b10-7+,11-6+
InChIKeyIGICUIZSITWZSZ-NXAIOARDSA-N
MW200.35 g/mol
LogP3.01
Rot. Bonds6

About (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol

(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol (PubChem CID 158690827) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol
PubChem CID158690827
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol
SMILESCSC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C11H20OS/c1-10(7-8-12)5-4-6-11(2)9-13-3/h6-7,12H,4-5,8-9H2,1-3H3/b10-7+,11-6+
InChIKeyIGICUIZSITWZSZ-NXAIOARDSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol (CID 158690827) is (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol is CSC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol?
The InChIKey is IGICUIZSITWZSZ-NXAIOARDSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(7-8-12)5-4-6-11(2)9-13-3/h6-7,12H,4-5,8-9H2,1-3H3/b10-7+,11-6+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol has a molecular weight of 200.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-8-methylsulfanylocta-2,6-dien-1-ol is sourced from PubChem (CID 158690827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).