2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one

C10H14O3 — CID 14564325

IUPAC2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one
SMILESC=C1OC(C2CCCCC2)OC1=O
InChIInChI=1S/C10H14O3/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8,10H,1-6H2
InChIKeyOCVMIMVUZXOECW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.98
Rot. Bonds1

About 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one

2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one (PubChem CID 14564325) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one
PubChem CID14564325
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one
SMILESC=C1OC(C2CCCCC2)OC1=O
InChIInChI=1S/C10H14O3/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8,10H,1-6H2
InChIKeyOCVMIMVUZXOECW-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
The IUPAC name of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one (CID 14564325) is 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one.
What is the SMILES notation for 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
The canonical SMILES for 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one is C=C1OC(C2CCCCC2)OC1=O.
What is the InChIKey of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
The InChIKey is OCVMIMVUZXOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8,10H,1-6H2.
What are the key properties of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one is sourced from PubChem (CID 14564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).