1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane

C12H22 — CID 91552917

IUPAC1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1C(C)CCC(C)C1C
InChIInChI=1S/C12H22/c1-8(2)12-10(4)7-6-9(3)11(12)5/h9-12H,1,6-7H2,2-5H3
InChIKeyMDIIOUQIGJYDAO-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.88
Rot. Bonds1

About 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane

1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane (PubChem CID 91552917) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
PubChem CID91552917
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1C(C)CCC(C)C1C
InChIInChI=1S/C12H22/c1-8(2)12-10(4)7-6-9(3)11(12)5/h9-12H,1,6-7H2,2-5H3
InChIKeyMDIIOUQIGJYDAO-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol;2,5-dimethyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 159922825
(2S,3R)-2-methyl-3-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 142078311
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
2,3-dimethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 64910022
CID 162266797
CID 162266797
1,2-dimethylcyclobutane;methylboronic acid
CID 90968222
2-[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclopentyl]prop-2-enal
CID 10464893
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996
2-methyl-5-prop-1-en-2-ylbicyclo[2.1.0]pentane
CID 123505655
(1S,2R,3S,4S)-3,4-dimethylcyclohexane-1,2-dicarboxylic acid
CID 130754496
1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123269209
(1R,2S,5R,6R,7S,8S)-2,8-dimethyl-6-prop-1-en-2-yltricyclo[5.3.0.02,5]decane
CID 11458377

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane (CID 91552917) is 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane is C=C(C)C1C(C)CCC(C)C1C.
What is the InChIKey of 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane?
The InChIKey is MDIIOUQIGJYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)12-10(4)7-6-9(3)11(12)5/h9-12H,1,6-7H2,2-5H3.
What are the key properties of 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane?
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 91552917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).