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

C13H24OS — CID 88547643

IUPAC(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
SMILESCCCSC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C13H24OS/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+
InChIKeySUZUXNNHQLSCTC-SWZPTJTJSA-N
MW228.40 g/mol
LogP3.79
Rot. Bonds8

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

(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol (PubChem CID 88547643) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
PubChem CID88547643
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
SMILESCCCSC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C13H24OS/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+
InChIKeySUZUXNNHQLSCTC-SWZPTJTJSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propylsulfanylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol (CID 88547643) is (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol is CCCSC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol?
The InChIKey is SUZUXNNHQLSCTC-SWZPTJTJSA-N. The full InChI is InChI=1S/C13H24OS/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol has a molecular weight of 228.40 g/mol, XLogP of 3.79, 8 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-propylsulfanylocta-2,6-dien-1-ol is sourced from PubChem (CID 88547643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).