4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one

C11H16O3 — CID 89425104

IUPAC4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CC1CCCCC1
InChIInChI=1S/C11H16O3/c1-8-10(14-11(12)13-8)7-9-5-3-2-4-6-9/h9-10H,1-7H2
InChIKeyJSOANHVMDZPBCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.01
Rot. Bonds2

About 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one

4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one (PubChem CID 89425104) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one
PubChem CID89425104
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CC1CCCCC1
InChIInChI=1S/C11H16O3/c1-8-10(14-11(12)13-8)7-9-5-3-2-4-6-9/h9-10H,1-7H2
InChIKeyJSOANHVMDZPBCW-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one (CID 89425104) is 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is JSOANHVMDZPBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-10(14-11(12)13-8)7-9-5-3-2-4-6-9/h9-10H,1-7H2.
What are the key properties of 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one?
4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 89425104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).