[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate

C12H20O4 — CID 134983145

IUPAC[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C\C1(C)OCCO1
InChIInChI=1S/C12H20O4/c1-11(13)14-8-6-4-3-5-7-12(2)15-9-10-16-12/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChIKeyWFUMFQJYUDHWQG-ALCCZGGFSA-N
MW228.29 g/mol
LogP2.04
Rot. Bonds6

About [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate

[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate (PubChem CID 134983145) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate.

Molecular Properties

Compound Name[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
PubChem CID134983145
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C\C1(C)OCCO1
InChIInChI=1S/C12H20O4/c1-11(13)14-8-6-4-3-5-7-12(2)15-9-10-16-12/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChIKeyWFUMFQJYUDHWQG-ALCCZGGFSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] 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

Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
CID 373318
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
[(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
ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 5468983
4-[(E)-2-fluorohex-2-enoxy]-4-propyl-1,3-dioxolan-2-one
CID 173806160
ethyl (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 12066275
ethyl (E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 121016048
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 135315549
(2E)-5-(1,3-Dioxolan-2-YL)-3-methyl-2-pentenyl acetate
CID 10262675
[(Z,1S,2R)-5-bromo-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)pent-3-en-2-yl] acetate
CID 10948566

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate?
The IUPAC name of [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate (CID 134983145) is [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate.
What is the SMILES notation for [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate?
The canonical SMILES for [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate is CC(=O)OCCCC/C=C\C1(C)OCCO1.
What is the InChIKey of [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate?
The InChIKey is WFUMFQJYUDHWQG-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H20O4/c1-11(13)14-8-6-4-3-5-7-12(2)15-9-10-16-12/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-.
What are the key properties of [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate?
[(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate has a molecular weight of 228.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate is sourced from PubChem (CID 134983145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).