(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol

C10H18OS — CID 88912397

IUPAC(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/CS)CO
InChIInChI=1S/C10H18OS/c1-9(6-7-12)4-3-5-10(2)8-11/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
InChIKeyGILCJLALCOLJBK-TXFIJWAUSA-N
MW186.32 g/mol
LogP2.58
Rot. Bonds5

About (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol

(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol (PubChem CID 88912397) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol
PubChem CID88912397
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/CS)CO
InChIInChI=1S/C10H18OS/c1-9(6-7-12)4-3-5-10(2)8-11/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
InChIKeyGILCJLALCOLJBK-TXFIJWAUSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol (CID 88912397) is (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol is C/C(=C\CC/C(C)=C/CS)CO.
What is the InChIKey of (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol?
The InChIKey is GILCJLALCOLJBK-TXFIJWAUSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(6-7-12)4-3-5-10(2)8-11/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+.
What are the key properties of (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol?
(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol is sourced from PubChem (CID 88912397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).