3-cyclohexyl-3-cyclohexyloxybutan-2-ol

C16H30O2 — CID 158414687

IUPAC3-cyclohexyl-3-cyclohexyloxybutan-2-ol
SMILESCC(O)C(C)(OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-13(17)16(2,14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-15,17H,3-12H2,1-2H3
InChIKeyLJARIDKIGIZXQQ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.06
Rot. Bonds4

About 3-cyclohexyl-3-cyclohexyloxybutan-2-ol

3-cyclohexyl-3-cyclohexyloxybutan-2-ol (PubChem CID 158414687) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-cyclohexyl-3-cyclohexyloxybutan-2-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-cyclohexyloxybutan-2-ol
PubChem CID158414687
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-cyclohexyl-3-cyclohexyloxybutan-2-ol
SMILESCC(O)C(C)(OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-13(17)16(2,14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-15,17H,3-12H2,1-2H3
InChIKeyLJARIDKIGIZXQQ-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-cyclohexyloxybutan-2-ol?
The IUPAC name of 3-cyclohexyl-3-cyclohexyloxybutan-2-ol (CID 158414687) is 3-cyclohexyl-3-cyclohexyloxybutan-2-ol.
What is the SMILES notation for 3-cyclohexyl-3-cyclohexyloxybutan-2-ol?
The canonical SMILES for 3-cyclohexyl-3-cyclohexyloxybutan-2-ol is CC(O)C(C)(OC1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-cyclohexyloxybutan-2-ol?
The InChIKey is LJARIDKIGIZXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(17)16(2,14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-cyclohexyl-3-cyclohexyloxybutan-2-ol?
3-cyclohexyl-3-cyclohexyloxybutan-2-ol has a molecular weight of 254.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-cyclohexyloxybutan-2-ol is sourced from PubChem (CID 158414687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).