2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane

C12H22O2 — CID 91110897

IUPAC2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane
SMILESCC(C)CC(C)CC=CC1OCCO1
InChIInChI=1S/C12H22O2/c1-10(2)9-11(3)5-4-6-12-13-7-8-14-12/h4,6,10-12H,5,7-9H2,1-3H3
InChIKeySNYAVZROJWAXAU-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.99
Rot. Bonds5

About 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane

2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane (PubChem CID 91110897) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane
PubChem CID91110897
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane
SMILESCC(C)CC(C)CC=CC1OCCO1
InChIInChI=1S/C12H22O2/c1-10(2)9-11(3)5-4-6-12-13-7-8-14-12/h4,6,10-12H,5,7-9H2,1-3H3
InChIKeySNYAVZROJWAXAU-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
CID 1615096
1,3-Dioxolane, 2-(3-cyclohexen-1-yl)-4-[(2-propenyloxy)methyl]-
CID 247391
4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
CID 13440554
2-[(E)-hept-1-enyl]-1,3-dioxolane
CID 15643672
2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane
CID 24881903
2-[(E)-2-methylundec-1-enyl]-1,3-dioxolane
CID 101056458
2-[(1E)-8-methylnona-1,7-dienyl]-1,3-dioxolane
CID 101541351
2-[(Z)-hept-1-enyl]-1,3-dioxolane
CID 102164919
2-[(E)-2-cyclohexylethenyl]-1,3-dioxolane
CID 125476243
2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane
CID 134995175

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane?
The IUPAC name of 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane (CID 91110897) is 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane?
The canonical SMILES for 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane is CC(C)CC(C)CC=CC1OCCO1.
What is the InChIKey of 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane?
The InChIKey is SNYAVZROJWAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)9-11(3)5-4-6-12-13-7-8-14-12/h4,6,10-12H,5,7-9H2,1-3H3.
What are the key properties of 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane?
2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylhept-1-enyl)-1,3-dioxolane is sourced from PubChem (CID 91110897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).