cyclohexanone;propan-2-ol

C9H18O2 — CID 21257602

IUPACcyclohexanone;propan-2-ol
SMILESCC(C)O.O=C1CCCCC1
InChIInChI=1S/C6H10O.C3H8O/c7-6-4-2-1-3-5-6;1-3(2)4/h1-5H2;3-4H,1-2H3
InChIKeyQPABRPPXHTXVAI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.91
Rot. Bonds

About cyclohexanone;propan-2-ol

cyclohexanone;propan-2-ol (PubChem CID 21257602) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is cyclohexanone;propan-2-ol.

Molecular Properties

Compound Namecyclohexanone;propan-2-ol
PubChem CID21257602
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namecyclohexanone;propan-2-ol
SMILESCC(C)O.O=C1CCCCC1
InChIInChI=1S/C6H10O.C3H8O/c7-6-4-2-1-3-5-6;1-3(2)4/h1-5H2;3-4H,1-2H3
InChIKeyQPABRPPXHTXVAI-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;propan-2-ol?
The IUPAC name of cyclohexanone;propan-2-ol (CID 21257602) is cyclohexanone;propan-2-ol.
What is the SMILES notation for cyclohexanone;propan-2-ol?
The canonical SMILES for cyclohexanone;propan-2-ol is CC(C)O.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;propan-2-ol?
The InChIKey is QPABRPPXHTXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H8O/c7-6-4-2-1-3-5-6;1-3(2)4/h1-5H2;3-4H,1-2H3.
What are the key properties of cyclohexanone;propan-2-ol?
cyclohexanone;propan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;propan-2-ol is sourced from PubChem (CID 21257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).