1,4-dimethyl-1-propan-2-ylcycloheptane

C12H24 — CID 123383887

IUPAC1,4-dimethyl-1-propan-2-ylcycloheptane
SMILESCC1CCCC(C)(C(C)C)CC1
InChIInChI=1S/C12H24/c1-10(2)12(4)8-5-6-11(3)7-9-12/h10-11H,5-9H2,1-4H3
InChIKeySVBGLXHDDKFXLM-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds1

About 1,4-dimethyl-1-propan-2-ylcycloheptane

1,4-dimethyl-1-propan-2-ylcycloheptane (PubChem CID 123383887) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,4-dimethyl-1-propan-2-ylcycloheptane.

Molecular Properties

Compound Name1,4-dimethyl-1-propan-2-ylcycloheptane
PubChem CID123383887
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,4-dimethyl-1-propan-2-ylcycloheptane
SMILESCC1CCCC(C)(C(C)C)CC1
InChIInChI=1S/C12H24/c1-10(2)12(4)8-5-6-11(3)7-9-12/h10-11H,5-9H2,1-4H3
InChIKeySVBGLXHDDKFXLM-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dimethyl-1-propan-2-ylcycloheptane 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-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
CID 173110598
4-methyl-4-propan-2-ylcycloheptane-1-sulfinate
CID 166662276
1,4-dimethylcycloheptan-1-amine
CID 65080006
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
1,1,5-trimethylcycloundecane
CID 161434950
7-methyl-7-propan-2-yl-4,5,6,8,9,9a-hexahydro-3aH-cycloocta[d][1,3]thiazole
CID 134372333
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
1,4-dimethyl-4-propan-2-ylazepane
CID 91322463
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,1,4-trimethylcyclononane
CID 71397842

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1-propan-2-ylcycloheptane?
The IUPAC name of 1,4-dimethyl-1-propan-2-ylcycloheptane (CID 123383887) is 1,4-dimethyl-1-propan-2-ylcycloheptane.
What is the SMILES notation for 1,4-dimethyl-1-propan-2-ylcycloheptane?
The canonical SMILES for 1,4-dimethyl-1-propan-2-ylcycloheptane is CC1CCCC(C)(C(C)C)CC1.
What is the InChIKey of 1,4-dimethyl-1-propan-2-ylcycloheptane?
The InChIKey is SVBGLXHDDKFXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-10(2)12(4)8-5-6-11(3)7-9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-1-propan-2-ylcycloheptane?
1,4-dimethyl-1-propan-2-ylcycloheptane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1-propan-2-ylcycloheptane is sourced from PubChem (CID 123383887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).