1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane

C15H30S — CID 126513868

IUPAC1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane
SMILESC=C(CCSCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C15H30S/c1-13(8-10-14(2,3)4)9-11-16-12-15(5,6)7/h1,8-12H2,2-7H3
InChIKeyFKRXWKKXJARGPQ-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.54
Rot. Bonds6

About 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane

1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane (PubChem CID 126513868) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane
PubChem CID126513868
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane
SMILESC=C(CCSCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C15H30S/c1-13(8-10-14(2,3)4)9-11-16-12-15(5,6)7/h1,8-12H2,2-7H3
InChIKeyFKRXWKKXJARGPQ-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-Trimethyl-4-methylsulfanyl-4-propylsulfanylhept-1-ene
CID 134930251
4-Ethylsulfanyl-2,3,3-trimethyl-4-methylsulfanylhex-1-ene
CID 134986735
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
3-(3,3-Dimethylbutan-2-ylsulfanyl)-2,4,4-trimethylpent-1-ene
CID 57660034
2-Methyl-2-oct-1-en-2-ylthiirane
CID 57702312
2-(6,6-Dimethyl-5-methylideneheptyl)thiolane
CID 58218963
(2R)-2-(6,6-dimethyl-5-methylideneheptyl)thiolane
CID 58348948
3-(3,3-Dimethylbutan-2-ylsulfanyl)-2-methylpent-1-ene
CID 89195464
3-Butan-2-ylsulfanyl-2,4,4-trimethylhex-1-ene
CID 89226706
1-[2-(Tert-butylsulfanylmethyl)prop-2-enyl]-1-methylcyclopentane
CID 89228341
2-(Tert-butylsulfanylmethyl)-4-ethyl-4-methylhex-1-ene
CID 89228342
2-(Ethylsulfanylmethyl)hept-1-ene
CID 89243673

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane?
The IUPAC name of 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane (CID 126513868) is 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane?
The canonical SMILES for 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane is C=C(CCSCC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane?
The InChIKey is FKRXWKKXJARGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-13(8-10-14(2,3)4)9-11-16-12-15(5,6)7/h1,8-12H2,2-7H3.
What are the key properties of 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane?
1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane has a molecular weight of 242.47 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfanyl)-6,6-dimethyl-3-methylideneheptane is sourced from PubChem (CID 126513868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).