4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol

C78H156O8 — CID 158916800

IUPAC4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCCC(O)C1.CC(C)(C)C1CCCCC1O.CC(C)CC1CCC(O)CC1.CC(C)CC1CCCC(O)C1.CC(C)CC1CCCCC1O.CC1CCCC(O)C1C.CCC(C)C1CCC(O)CC1
InChIInChI=1S/7C10H20O.C8H16O/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-3-8(2)9-4-6-10(11)7-5-9;1-6-4-3-5-8(9)7(6)2/h3*8-9,11H,4-7H2,1-3H3;4*8-11H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyJHIFYBJDZRJWDW-UHFFFAOYSA-N
MW1222.10 g/mol
LogP19.89
Rot. Bonds8

About 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol

4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 158916800) has the molecular formula C78H156O8 and a molecular weight of 1222.10 g/mol. Its IUPAC name is 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol
PubChem CID158916800
Molecular FormulaC78H156O8
Molecular Weight1222.10 g/mol
Exact Mass1221.18
IUPAC Name4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCCC(O)C1.CC(C)(C)C1CCCCC1O.CC(C)CC1CCC(O)CC1.CC(C)CC1CCCC(O)C1.CC(C)CC1CCCCC1O.CC1CCCC(O)C1C.CCC(C)C1CCC(O)CC1
InChIInChI=1S/7C10H20O.C8H16O/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-3-8(2)9-4-6-10(11)7-5-9;1-6-4-3-5-8(9)7(6)2/h3*8-9,11H,4-7H2,1-3H3;4*8-11H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyJHIFYBJDZRJWDW-UHFFFAOYSA-N
XLogP19.89
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.10
LogP ≤ 519.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-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

2,5-bis(2-methylpropyl)cyclohexan-1-ol;2,6-bis(2-methylpropyl)cyclohexan-1-ol;2,4-di(butan-2-yl)cyclohexan-1-ol;2,6-di(butan-2-yl)cyclohexan-1-ol;2,5-diethylcyclohexan-1-ol;2-ethyl-3-propylcyclohexan-1-ol;2-ethyl-4-propylcyclohexan-1-ol;2-ethyl-6-propylcyclohexan-1-ol;4-ethyl-2-propylcyclohexan-1-ol;4-ethyl-3-propylcyclohexan-1-ol
CID 161130253
butan-2-ylcyclobutane;tert-butylcyclobutane;1-ethyl-2-methylcyclopentane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
CID 160862654
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
2-(2-methylpropyl)-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol
CID 170527501
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
CID 159888503
2-ethyl-6-methylcyclohexan-1-ol;5-ethyl-2-methylcyclohexan-1-ol;2-methyl-3-propan-2-ylcyclohexan-1-ol;2-methyl-4-propan-2-ylcyclohexan-1-ol;2-methyl-5-propan-2-ylcyclohexan-1-ol;2-methyl-6-propan-2-ylcyclohexan-1-ol;3-methyl-2-propan-2-ylcyclohexan-1-ol;3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 160934332

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol (CID 158916800) is 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCCC(O)C1.CC(C)(C)C1CCCCC1O.CC(C)CC1CCC(O)CC1.CC(C)CC1CCCC(O)C1.CC(C)CC1CCCCC1O.CC1CCCC(O)C1C.CCC(C)C1CCC(O)CC1.
What is the InChIKey of 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is JHIFYBJDZRJWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/7C10H20O.C8H16O/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-3-8(2)9-4-6-10(11)7-5-9;1-6-4-3-5-8(9)7(6)2/h3*8-9,11H,4-7H2,1-3H3;4*8-11H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol?
4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 1222.10 g/mol, XLogP of 19.89, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylcyclohexan-1-ol;2-tert-butylcyclohexan-1-ol;3-tert-butylcyclohexan-1-ol;4-tert-butylcyclohexan-1-ol;2,3-dimethylcyclohexan-1-ol;2-(2-methylpropyl)cyclohexan-1-ol;3-(2-methylpropyl)cyclohexan-1-ol;4-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 158916800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).