1,1-dicyclohexyl-1-hydroxypropan-2-one

C15H26O2 — CID 102386350

IUPAC1,1-dicyclohexyl-1-hydroxypropan-2-one
SMILESCC(=O)C(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14,17H,2-11H2,1H3
InChIKeyQOVLXUKZAUDUHR-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.47
Rot. Bonds3

About 1,1-dicyclohexyl-1-hydroxypropan-2-one

1,1-dicyclohexyl-1-hydroxypropan-2-one (PubChem CID 102386350) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,1-dicyclohexyl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1,1-dicyclohexyl-1-hydroxypropan-2-one
PubChem CID102386350
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,1-dicyclohexyl-1-hydroxypropan-2-one
SMILESCC(=O)C(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14,17H,2-11H2,1H3
InChIKeyQOVLXUKZAUDUHR-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-1-hydroxypropan-2-one?
The IUPAC name of 1,1-dicyclohexyl-1-hydroxypropan-2-one (CID 102386350) is 1,1-dicyclohexyl-1-hydroxypropan-2-one.
What is the SMILES notation for 1,1-dicyclohexyl-1-hydroxypropan-2-one?
The canonical SMILES for 1,1-dicyclohexyl-1-hydroxypropan-2-one is CC(=O)C(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-1-hydroxypropan-2-one?
The InChIKey is QOVLXUKZAUDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14,17H,2-11H2,1H3.
What are the key properties of 1,1-dicyclohexyl-1-hydroxypropan-2-one?
1,1-dicyclohexyl-1-hydroxypropan-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-1-hydroxypropan-2-one is sourced from PubChem (CID 102386350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).