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

C11H16O3 — CID 163475388

IUPAC4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1(C)C1CCCCC1
InChIInChI=1S/C11H16O3/c1-8-11(2,14-10(12)13-8)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKeyBZYBZYZOFROFEE-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.01
Rot. Bonds1

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

4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 163475388) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
PubChem CID163475388
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1(C)C1CCCCC1
InChIInChI=1S/C11H16O3/c1-8-11(2,14-10(12)13-8)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKeyBZYBZYZOFROFEE-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one (CID 163475388) is 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1(C)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is BZYBZYZOFROFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-11(2,14-10(12)13-8)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3.
What are the key properties of 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one?
4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 163475388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).