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

C10H14O3 — CID 89425095

IUPAC4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C1CCCCC1
InChIInChI=1S/C10H14O3/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h8-9H,1-6H2
InChIKeyYFXCZBSNOZWJGD-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.62
Rot. Bonds1

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

4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 89425095) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one
PubChem CID89425095
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C1CCCCC1
InChIInChI=1S/C10H14O3/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h8-9H,1-6H2
InChIKeyYFXCZBSNOZWJGD-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one (CID 89425095) is 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is YFXCZBSNOZWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h8-9H,1-6H2.
What are the key properties of 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one?
4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 182.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 89425095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).