1-tert-butyl-3-propan-2-ylcyclohexan-1-ol

C13H26O — CID 107449674

IUPAC1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C(C)(C)C)C1
InChIInChI=1S/C13H26O/c1-10(2)11-7-6-8-13(14,9-11)12(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyGNDLYLOIRVLXPV-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds1

About 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol

1-tert-butyl-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449674) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449674
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(C(C)(C)C)C1
InChIInChI=1S/C13H26O/c1-10(2)11-7-6-8-13(14,9-11)12(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyGNDLYLOIRVLXPV-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol
CID 70304454
2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcycloheptyl)acetic acid
CID 65090679
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
CID 107449756
1-tert-butylcyclooctan-1-ol
CID 12697683
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-(1-hydroxy-3-propan-2-ylcyclohexyl)cyclohexane-1-carbonitrile
CID 107450654
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
1-(1-amino-2-methylpropan-2-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103565553
1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol (CID 107449674) is 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is GNDLYLOIRVLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)11-7-6-8-13(14,9-11)12(3,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol?
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).