3,11-dimethyl-7-methylidenedodecane-1-thiol

C15H30S — CID 171109147

IUPAC3,11-dimethyl-7-methylidenedodecane-1-thiol
SMILESC=C(CCCC(C)C)CCCC(C)CCS
InChIInChI=1S/C15H30S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13,15-16H,3,5-12H2,1-2,4H3
InChIKeyHPIFGVOQJNJSQH-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.50
Rot. Bonds10

About 3,11-dimethyl-7-methylidenedodecane-1-thiol

3,11-dimethyl-7-methylidenedodecane-1-thiol (PubChem CID 171109147) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is 3,11-dimethyl-7-methylidenedodecane-1-thiol.

Molecular Properties

Compound Name3,11-dimethyl-7-methylidenedodecane-1-thiol
PubChem CID171109147
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name3,11-dimethyl-7-methylidenedodecane-1-thiol
SMILESC=C(CCCC(C)C)CCCC(C)CCS
InChIInChI=1S/C15H30S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13,15-16H,3,5-12H2,1-2,4H3
InChIKeyHPIFGVOQJNJSQH-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.50
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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Related Compounds

3-(Fluoromethyl)-7,10-dimethyl-6-methylidene-7-propylundecane-2-thiol
CID 155014798
(E)-3,7,11,15-tetramethylhexadec-2-ene-1-thiol
CID 11324432
2-[(1R,2S)-2-(7-methyl-3-methylideneoctyl)cyclopropyl]ethanethiol
CID 171109146
(E)-3,7,11-trimethyldodec-6-ene-1-thiol
CID 171109149
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2-Butyl-4-pentenethiol
CID 129783071
2-(2,6-Dimethylheptan-2-yl)-3,3,7-trimethyloct-1-ene-1-thiol
CID 134933104
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
3-Ethenyloctane-1-thiol
CID 12400865
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-thiol
CID 15661841
2,4,6-Trimethyloct-7-ene-1-thiol
CID 20298660
5-Methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
CID 20583882

Frequently Asked Questions

What is the IUPAC name of 3,11-dimethyl-7-methylidenedodecane-1-thiol?
The IUPAC name of 3,11-dimethyl-7-methylidenedodecane-1-thiol (CID 171109147) is 3,11-dimethyl-7-methylidenedodecane-1-thiol.
What is the SMILES notation for 3,11-dimethyl-7-methylidenedodecane-1-thiol?
The canonical SMILES for 3,11-dimethyl-7-methylidenedodecane-1-thiol is C=C(CCCC(C)C)CCCC(C)CCS.
What is the InChIKey of 3,11-dimethyl-7-methylidenedodecane-1-thiol?
The InChIKey is HPIFGVOQJNJSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13,15-16H,3,5-12H2,1-2,4H3.
What are the key properties of 3,11-dimethyl-7-methylidenedodecane-1-thiol?
3,11-dimethyl-7-methylidenedodecane-1-thiol has a molecular weight of 242.47 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethyl-7-methylidenedodecane-1-thiol is sourced from PubChem (CID 171109147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).