1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol

C11H22O2 — CID 57305534

IUPAC1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
SMILESCC(C)(O)CCC1(O)CCCCC1
InChIInChI=1S/C11H22O2/c1-10(2,12)8-9-11(13)6-4-3-5-7-11/h12-13H,3-9H2,1-2H3
InChIKeyOHQBQNFRIIENCH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.23
Rot. Bonds3

About 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol

1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol (PubChem CID 57305534) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
PubChem CID57305534
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
SMILESCC(C)(O)CCC1(O)CCCCC1
InChIInChI=1S/C11H22O2/c1-10(2,12)8-9-11(13)6-4-3-5-7-11/h12-13H,3-9H2,1-2H3
InChIKeyOHQBQNFRIIENCH-UHFFFAOYSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol (CID 57305534) is 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol is CC(C)(O)CCC1(O)CCCCC1.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
The InChIKey is OHQBQNFRIIENCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2,12)8-9-11(13)6-4-3-5-7-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 57305534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).