[(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate

C11H18O4 — CID 10262675

IUPAC[(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CCC1OCCO1
InChIInChI=1S/C11H18O4/c1-9(5-6-13-10(2)12)3-4-11-14-7-8-15-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+
InChIKeyKXPHCDLWQNLEEU-WEVVVXLNSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate

[(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate (PubChem CID 10262675) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate
PubChem CID10262675
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate
SMILESCC(=O)OC/C=C(\C)CCC1OCCO1
InChIInChI=1S/C11H18O4/c1-9(5-6-13-10(2)12)3-4-11-14-7-8-15-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+
InChIKeyKXPHCDLWQNLEEU-WEVVVXLNSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Citracetal
CID 1615097
2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane
CID 47922
Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
CID 373318
(1S,4Z,8E)-4,8,12-trimethyl-2,14-dioxabicyclo[9.3.0]tetradeca-4,8,11-trien-13-one
CID 163026020
[(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
CID 58918258
ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate
CID 5387033
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
ethyl (E,4S)-6-(1,3-dioxolan-2-yl)-4-methylhex-2-enoate
CID 24822224
3-(2,5-dimethoxy-2H-furan-5-yl)propyl acetate
CID 44719214
methyl (2Z,6Z)-9-(1,3-dioxolan-2-yl)-3,7-dimethylnona-2,6-dienoate
CID 52920533
methyl (2Z)-2-(2,5-dipropyl-1,3-dioxolan-4-ylidene)acetate
CID 101153857
2-Propylhept-2-enedial 7-ethylene acetal
CID 129814225

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
The IUPAC name of [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate (CID 10262675) is [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate.
What is the SMILES notation for [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
The canonical SMILES for [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate is CC(=O)OC/C=C(\C)CCC1OCCO1.
What is the InChIKey of [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
The InChIKey is KXPHCDLWQNLEEU-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(5-6-13-10(2)12)3-4-11-14-7-8-15-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+.
What are the key properties of [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate?
[(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(1,3-dioxolan-2-yl)-3-methylpent-2-enyl] acetate is sourced from PubChem (CID 10262675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).