2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane

C12H20O2 — CID 13244502

IUPAC2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
SMILESCCCCC/C=C/C=C/C1OCCO1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h6-9,12H,2-5,10-11H2,1H3/b7-6+,9-8+
InChIKeyNBIDDUXDGXDFDW-BLHCBFLLSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds6

About 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane

2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane (PubChem CID 13244502) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
PubChem CID13244502
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
SMILESCCCCC/C=C/C=C/C1OCCO1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h6-9,12H,2-5,10-11H2,1H3/b7-6+,9-8+
InChIKeyNBIDDUXDGXDFDW-BLHCBFLLSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane 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

2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane
CID 87965048
(22E)-heptatetraconta-22,24-diene
CID 56629131
tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
CID 71358263
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
pentadeca-3,5,7,9-tetraene
CID 151958393
2-(35-chloropentatriaconta-12,24-dienyl)-1,3-dioxolane;hexane
CID 68609176
(2R,3R)-2-butyl-3-tetradeca-1,3,5-trienyloxirane
CID 54182229
2-(icosa-1,3,5-trienoxymethyl)oxirane
CID 175287179
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane?
The IUPAC name of 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane (CID 13244502) is 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane is CCCCC/C=C/C=C/C1OCCO1.
What is the InChIKey of 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane?
The InChIKey is NBIDDUXDGXDFDW-BLHCBFLLSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h6-9,12H,2-5,10-11H2,1H3/b7-6+,9-8+.
What are the key properties of 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane?
2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane is sourced from PubChem (CID 13244502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).