2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol

C16H30O2 — CID 79422608

IUPAC2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CC2(O)CCCCC2)C1
InChIInChI=1S/C16H30O2/c1-12(2)13-6-7-15(17)14(10-13)11-16(18)8-4-3-5-9-16/h12-15,17-18H,3-11H2,1-2H3
InChIKeyYICKDWYIBQVFHU-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.50
Rot. Bonds3

About 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol

2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79422608) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID79422608
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CC2(O)CCCCC2)C1
InChIInChI=1S/C16H30O2/c1-12(2)13-6-7-15(17)14(10-13)11-16(18)8-4-3-5-9-16/h12-15,17-18H,3-11H2,1-2H3
InChIKeyYICKDWYIBQVFHU-UHFFFAOYSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 79422608) is 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CC2(O)CCCCC2)C1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is YICKDWYIBQVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-12(2)13-6-7-15(17)14(10-13)11-16(18)8-4-3-5-9-16/h12-15,17-18H,3-11H2,1-2H3.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79422608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).