1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane

C19H38 — CID 144658339

IUPAC1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
SMILESCCC(C)C1CC(C)C(C(C)(C)C)CC1C(C)(C)C
InChIInChI=1S/C19H38/c1-10-13(2)15-11-14(3)16(18(4,5)6)12-17(15)19(7,8)9/h13-17H,10-12H2,1-9H3
InChIKeyVDENXXWXBJIJBU-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.40
Rot. Bonds2

About 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane

1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane (PubChem CID 144658339) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
PubChem CID144658339
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
SMILESCCC(C)C1CC(C)C(C(C)(C)C)CC1C(C)(C)C
InChIInChI=1S/C19H38/c1-10-13(2)15-11-14(3)16(18(4,5)6)12-17(15)19(7,8)9/h13-17H,10-12H2,1-9H3
InChIKeyVDENXXWXBJIJBU-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane 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-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
CID 177164103
2-(2-tert-butylcyclopropyl)propan-1-amine
CID 84650286
2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine
CID 163602865
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
1-butan-2-yl-3,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 123302694
(2,4-ditert-butyl-5-methylcyclohexyl) 2-ethyl-2,3-dimethylpentanoate
CID 144704863
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane?
The IUPAC name of 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane (CID 144658339) is 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane.
What is the SMILES notation for 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane?
The canonical SMILES for 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane is CCC(C)C1CC(C)C(C(C)(C)C)CC1C(C)(C)C.
What is the InChIKey of 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane?
The InChIKey is VDENXXWXBJIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-10-13(2)15-11-14(3)16(18(4,5)6)12-17(15)19(7,8)9/h13-17H,10-12H2,1-9H3.
What are the key properties of 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane?
1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane has a molecular weight of 266.51 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane is sourced from PubChem (CID 144658339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).