2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol

C14H28O — CID 81313623

IUPAC2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol
SMILESCCC(CC)C1(O)CCC(C)(C)CC1C
InChIInChI=1S/C14H28O/c1-6-12(7-2)14(15)9-8-13(4,5)10-11(14)3/h11-12,15H,6-10H2,1-5H3
InChIKeyWLDHMCHJHFNSHO-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds3

About 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol

2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol (PubChem CID 81313623) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol
PubChem CID81313623
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol
SMILESCCC(CC)C1(O)CCC(C)(C)CC1C
InChIInChI=1S/C14H28O/c1-6-12(7-2)14(15)9-8-13(4,5)10-11(14)3/h11-12,15H,6-10H2,1-5H3
InChIKeyWLDHMCHJHFNSHO-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol 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-(1-aminobutan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314260
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194
diethyl 2-(1-hydroxy-2,4,4-trimethylcyclohexyl)propanedioate
CID 81305417
1-(2-ethylhexyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314453
tert-butyl 2-(1-hydroxy-2,4,4-trimethylcyclohexyl)propanoate
CID 81313510
2,4,4-trimethyl-1-octylcyclohexan-1-ol
CID 81315445
1,1,2,4,4-pentamethylcyclohexane
CID 18728443
2,4,4-trimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 81314692
2-(1-hydroxy-2,4,4-trimethylcyclopentyl)pentanenitrile
CID 106664445
(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314911
2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol
CID 81315381

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol (CID 81313623) is 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol is CCC(CC)C1(O)CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol?
The InChIKey is WLDHMCHJHFNSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-12(7-2)14(15)9-8-13(4,5)10-11(14)3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol?
2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol is sourced from PubChem (CID 81313623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).