4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene

C14H26S — CID 91160288

IUPAC4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene
SMILESC=CC(=CSCCCC(C)C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-7-13(14(4,5)6)11-15-10-8-9-12(2)3/h7,11-12H,1,8-10H2,2-6H3
InChIKeyQFAVBAJCULNNRM-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.27
Rot. Bonds6

About 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene

4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene (PubChem CID 91160288) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene.

Molecular Properties

Compound Name4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene
PubChem CID91160288
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene
SMILESC=CC(=CSCCCC(C)C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-7-13(14(4,5)6)11-15-10-8-9-12(2)3/h7,11-12H,1,8-10H2,2-6H3
InChIKeyQFAVBAJCULNNRM-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene?
The IUPAC name of 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene (CID 91160288) is 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene.
What is the SMILES notation for 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene?
The canonical SMILES for 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene is C=CC(=CSCCCC(C)C)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene?
The InChIKey is QFAVBAJCULNNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-7-13(14(4,5)6)11-15-10-8-9-12(2)3/h7,11-12H,1,8-10H2,2-6H3.
What are the key properties of 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene?
4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene has a molecular weight of 226.43 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(4-methylpentylsulfanylmethylidene)pent-1-ene is sourced from PubChem (CID 91160288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).