1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane

C15H28S — CID 135160514

IUPAC1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane
SMILESCCC(C)/C(C)=C(\C)SC1CCC(C)CC1
InChIInChI=1S/C15H28S/c1-6-12(3)13(4)14(5)16-15-9-7-11(2)8-10-15/h11-12,15H,6-10H2,1-5H3/b14-13+
InChIKeyIOXHCJYONLWGKV-BUHFOSPRSA-N
MW240.46 g/mol
LogP5.64
Rot. Bonds4

About 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane

1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane (PubChem CID 135160514) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane
PubChem CID135160514
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane
SMILESCCC(C)/C(C)=C(\C)SC1CCC(C)CC1
InChIInChI=1S/C15H28S/c1-6-12(3)13(4)14(5)16-15-9-7-11(2)8-10-15/h11-12,15H,6-10H2,1-5H3/b14-13+
InChIKeyIOXHCJYONLWGKV-BUHFOSPRSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
1-methyl-4-propan-2-ylsulfanylcyclohexane
CID 59881971
1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
1-butan-2-yl-4-methylcyclohexane
CID 20676481
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
(E)-2,3,4-trimethylhex-2-enoic acid
CID 22726174
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
CID 147603807
(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate
CID 59445796
1,4-dimethylcyclohexane;methanol
CID 70358527
butan-2-ylsulfanylcyclopropane
CID 59881925
2-acetamido-3-(4-methylcyclohexyl)sulfanylpropanoic acid
CID 64748705

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane?
The IUPAC name of 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane (CID 135160514) is 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane.
What is the SMILES notation for 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane?
The canonical SMILES for 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane is CCC(C)/C(C)=C(\C)SC1CCC(C)CC1.
What is the InChIKey of 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane?
The InChIKey is IOXHCJYONLWGKV-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H28S/c1-6-12(3)13(4)14(5)16-15-9-7-11(2)8-10-15/h11-12,15H,6-10H2,1-5H3/b14-13+.
What are the key properties of 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane?
1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane has a molecular weight of 240.46 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,4-dimethylhex-2-en-2-yl]sulfanyl-4-methylcyclohexane is sourced from PubChem (CID 135160514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).