[2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate

C12H16O5 — CID 169212986

IUPAC[2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1CCOC1(C=C1CC1)OC(C)=O
InChIInChI=1S/C12H16O5/c1-8(13)16-11-5-6-15-12(11,17-9(2)14)7-10-3-4-10/h7,11H,3-6H2,1-2H3
InChIKeyPLOWKUOLMWCJKB-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.32
Rot. Bonds3

About [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate

[2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate (PubChem CID 169212986) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate
PubChem CID169212986
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1CCOC1(C=C1CC1)OC(C)=O
InChIInChI=1S/C12H16O5/c1-8(13)16-11-5-6-15-12(11,17-9(2)14)7-10-3-4-10/h7,11H,3-6H2,1-2H3
InChIKeyPLOWKUOLMWCJKB-UHFFFAOYSA-N
XLogP1.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
CID 58918258
(2E)-5-(1,3-Dioxolan-2-YL)-3-methyl-2-pentenyl acetate
CID 10262675
[(3aR,4R,5S,7aR)-4-acetyloxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] acetate
CID 15674852
[(3aR,4R,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] acetate
CID 46703883
[(2S,3S,4S)-4-acetyloxy-9-ethenyl-2-methyl-1,6-dioxaspiro[4.4]non-8-en-3-yl] acetate
CID 134858590
methyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 134892652
[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
CID 134983145
[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl] acetate
CID 135017518
[(5R,7S)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl] acetate
CID 135040408
ethyl (E)-2-methyl-3-[(3R)-2-methyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]oxiran-2-yl]prop-2-enoate
CID 139252219
3-[5-(2-Acetoxypropyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]acrylic acid, methyl ester
CID 5369118
ethyl (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11074756

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate?
The IUPAC name of [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate (CID 169212986) is [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate?
The canonical SMILES for [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate is CC(=O)OC1CCOC1(C=C1CC1)OC(C)=O.
What is the InChIKey of [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate?
The InChIKey is PLOWKUOLMWCJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(13)16-11-5-6-15-12(11,17-9(2)14)7-10-3-4-10/h7,11H,3-6H2,1-2H3.
What are the key properties of [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate?
[2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate has a molecular weight of 240.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-2-(cyclopropylidenemethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 169212986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).