(3E)-4,8-dimethylnona-3,7-diene-1-thiol

C11H20S — CID 10631369

IUPAC(3E)-4,8-dimethylnona-3,7-diene-1-thiol
SMILESCC(C)=CCC/C(C)=C/CCS
InChIInChI=1S/C11H20S/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8,12H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyQGXYMNUWIUFPBN-DHZHZOJOSA-N
MW184.35 g/mol
LogP4.00
Rot. Bonds5

About (3E)-4,8-dimethylnona-3,7-diene-1-thiol

(3E)-4,8-dimethylnona-3,7-diene-1-thiol (PubChem CID 10631369) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (3E)-4,8-dimethylnona-3,7-diene-1-thiol.

Molecular Properties

Compound Name(3E)-4,8-dimethylnona-3,7-diene-1-thiol
PubChem CID10631369
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(3E)-4,8-dimethylnona-3,7-diene-1-thiol
SMILESCC(C)=CCC/C(C)=C/CCS
InChIInChI=1S/C11H20S/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8,12H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyQGXYMNUWIUFPBN-DHZHZOJOSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dimethylnona-3,7-diene-1-thiol?
The IUPAC name of (3E)-4,8-dimethylnona-3,7-diene-1-thiol (CID 10631369) is (3E)-4,8-dimethylnona-3,7-diene-1-thiol.
What is the SMILES notation for (3E)-4,8-dimethylnona-3,7-diene-1-thiol?
The canonical SMILES for (3E)-4,8-dimethylnona-3,7-diene-1-thiol is CC(C)=CCC/C(C)=C/CCS.
What is the InChIKey of (3E)-4,8-dimethylnona-3,7-diene-1-thiol?
The InChIKey is QGXYMNUWIUFPBN-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H20S/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8,12H,4-5,7,9H2,1-3H3/b11-8+.
What are the key properties of (3E)-4,8-dimethylnona-3,7-diene-1-thiol?
(3E)-4,8-dimethylnona-3,7-diene-1-thiol has a molecular weight of 184.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethylnona-3,7-diene-1-thiol is sourced from PubChem (CID 10631369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).