2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol

C13H26O — CID 79423802

IUPAC2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
SMILESCCC(C)C1CC(C(C)C)CCC1O
InChIInChI=1S/C13H26O/c1-5-10(4)12-8-11(9(2)3)6-7-13(12)14/h9-14H,5-8H2,1-4H3
InChIKeyOUWKVJZCDLTAAV-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds3

About 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol

2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79423802) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
PubChem CID79423802
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
SMILESCCC(C)C1CC(C(C)C)CCC1O
InChIInChI=1S/C13H26O/c1-5-10(4)12-8-11(9(2)3)6-7-13(12)14/h9-14H,5-8H2,1-4H3
InChIKeyOUWKVJZCDLTAAV-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 23443060
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-butan-2-ylcycloheptan-1-ol
CID 23148884
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane
CID 143343617
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
CID 62708658
2-[cyclopropyl(ethyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 62708652
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol (CID 79423802) is 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol is CCC(C)C1CC(C(C)C)CCC1O.
What is the InChIKey of 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is OUWKVJZCDLTAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-10(4)12-8-11(9(2)3)6-7-13(12)14/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol?
2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79423802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).