2,4,4,5-tetramethylhexan-2-ylcyclopropane

C13H26 — CID 142456754

IUPAC2,4,4,5-tetramethylhexan-2-ylcyclopropane
SMILESCC(C)C(C)(C)CC(C)(C)C1CC1
InChIInChI=1S/C13H26/c1-10(2)12(3,4)9-13(5,6)11-7-8-11/h10-11H,7-9H2,1-6H3
InChIKeyMMABYFGWTHRRLK-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds4

About 2,4,4,5-tetramethylhexan-2-ylcyclopropane

2,4,4,5-tetramethylhexan-2-ylcyclopropane (PubChem CID 142456754) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,4,4,5-tetramethylhexan-2-ylcyclopropane.

Molecular Properties

Compound Name2,4,4,5-tetramethylhexan-2-ylcyclopropane
PubChem CID142456754
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,4,4,5-tetramethylhexan-2-ylcyclopropane
SMILESCC(C)C(C)(C)CC(C)(C)C1CC1
InChIInChI=1S/C13H26/c1-10(2)12(3,4)9-13(5,6)11-7-8-11/h10-11H,7-9H2,1-6H3
InChIKeyMMABYFGWTHRRLK-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4,4,5-tetramethylhexan-2-ylcyclopropane 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

2,4,4-trimethylpentan-2-ylcyclopentane
CID 90828490
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 142995371
(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
CID 90927036
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
(1-bromo-2-methylpropan-2-yl)cyclopropane
CID 83149923
2-cyclopropyl-2-methylpropane-1-sulfonyl chloride
CID 115020909
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
5-(2,4,4-trimethylpentan-2-yl)cyclooctan-1-one
CID 143292518
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
CID 100913906
CID 100913906
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetramethylhexan-2-ylcyclopropane?
The IUPAC name of 2,4,4,5-tetramethylhexan-2-ylcyclopropane (CID 142456754) is 2,4,4,5-tetramethylhexan-2-ylcyclopropane.
What is the SMILES notation for 2,4,4,5-tetramethylhexan-2-ylcyclopropane?
The canonical SMILES for 2,4,4,5-tetramethylhexan-2-ylcyclopropane is CC(C)C(C)(C)CC(C)(C)C1CC1.
What is the InChIKey of 2,4,4,5-tetramethylhexan-2-ylcyclopropane?
The InChIKey is MMABYFGWTHRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-10(2)12(3,4)9-13(5,6)11-7-8-11/h10-11H,7-9H2,1-6H3.
What are the key properties of 2,4,4,5-tetramethylhexan-2-ylcyclopropane?
2,4,4,5-tetramethylhexan-2-ylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetramethylhexan-2-ylcyclopropane is sourced from PubChem (CID 142456754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).