2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one

C10H16O3 — CID 13112445

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
SMILESCC1(C2CCCCC2=O)OCCO1
InChIInChI=1S/C10H16O3/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h8H,2-7H2,1H3
InChIKeyNSXOOJFQSVEIFS-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds1

About 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one

2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one (PubChem CID 13112445) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
PubChem CID13112445
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
SMILESCC1(C2CCCCC2=O)OCCO1
InChIInChI=1S/C10H16O3/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h8H,2-7H2,1H3
InChIKeyNSXOOJFQSVEIFS-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one (CID 13112445) is 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one is CC1(C2CCCCC2=O)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one?
The InChIKey is NSXOOJFQSVEIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h8H,2-7H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one?
2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 13112445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).