2,4-dimethyl-1-propan-2-ylcyclohexane;propane

C14H30 — CID 143365202

IUPAC2,4-dimethyl-1-propan-2-ylcyclohexane;propane
SMILESCC1CCC(C(C)C)C(C)C1.CCC
InChIInChI=1S/C11H22.C3H8/c1-8(2)11-6-5-9(3)7-10(11)4;1-3-2/h8-11H,5-7H2,1-4H3;3H2,1-2H3
InChIKeyXZZZXLPXRXJQNV-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds1

About 2,4-dimethyl-1-propan-2-ylcyclohexane;propane

2,4-dimethyl-1-propan-2-ylcyclohexane;propane (PubChem CID 143365202) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylcyclohexane;propane.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylcyclohexane;propane
PubChem CID143365202
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,4-dimethyl-1-propan-2-ylcyclohexane;propane
SMILESCC1CCC(C(C)C)C(C)C1.CCC
InChIInChI=1S/C11H22.C3H8/c1-8(2)11-6-5-9(3)7-10(11)4;1-3-2/h8-11H,5-7H2,1-4H3;3H2,1-2H3
InChIKeyXZZZXLPXRXJQNV-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dimethyl-1-propan-2-ylcyclohexane;propane 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

1,4-dimethylpiperidine;methane;trans-(1R,4S)-2,4-dimethyl-1-propan-2-ylcyclohexane;trans-(1S,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane
CID 161317784
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79308579
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylcyclohexane;propane?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylcyclohexane;propane (CID 143365202) is 2,4-dimethyl-1-propan-2-ylcyclohexane;propane.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylcyclohexane;propane?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylcyclohexane;propane is CC1CCC(C(C)C)C(C)C1.CCC.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylcyclohexane;propane?
The InChIKey is XZZZXLPXRXJQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C3H8/c1-8(2)11-6-5-9(3)7-10(11)4;1-3-2/h8-11H,5-7H2,1-4H3;3H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-propan-2-ylcyclohexane;propane?
2,4-dimethyl-1-propan-2-ylcyclohexane;propane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylcyclohexane;propane is sourced from PubChem (CID 143365202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).