(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol

C11H20OS — CID 18786824

IUPAC(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(O)CS
InChIInChI=1S/C11H20OS/c1-9(2)5-4-6-10(3)7-11(12)8-13/h5,7,11-13H,4,6,8H2,1-3H3/b10-7+
InChIKeyBDVOQIZDJRJZDW-JXMROGBWSA-N
MW200.35 g/mol
LogP2.97
Rot. Bonds5

About (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol

(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol (PubChem CID 18786824) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol
PubChem CID18786824
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(O)CS
InChIInChI=1S/C11H20OS/c1-9(2)5-4-6-10(3)7-11(12)8-13/h5,7,11-13H,4,6,8H2,1-3H3/b10-7+
InChIKeyBDVOQIZDJRJZDW-JXMROGBWSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.97
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 (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol?
The IUPAC name of (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol (CID 18786824) is (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol.
What is the SMILES notation for (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol?
The canonical SMILES for (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol is CC(C)=CCC/C(C)=C/C(O)CS.
What is the InChIKey of (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol?
The InChIKey is BDVOQIZDJRJZDW-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)5-4-6-10(3)7-11(12)8-13/h5,7,11-13H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol?
(3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol has a molecular weight of 200.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethyl-1-sulfanylnona-3,7-dien-2-ol is sourced from PubChem (CID 18786824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).