2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane

C10H14O2 — CID 10558999

IUPAC2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane
SMILESC=C1COC(C2=CCCCC2)O1
InChIInChI=1S/C10H14O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h5,10H,1-4,6-7H2
InChIKeyPHVMCWBWUWETSZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds1

About 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane

2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane (PubChem CID 10558999) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane
PubChem CID10558999
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane
SMILESC=C1COC(C2=CCCCC2)O1
InChIInChI=1S/C10H14O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h5,10H,1-4,6-7H2
InChIKeyPHVMCWBWUWETSZ-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
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

Perillaldehyde propyleneglycol acetal
CID 71587448
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
7-Pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85819494
6-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137374
7-(Fluoromethyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 170721185
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
CID 135015993
7-Ethyl-1,4-dioxaspiro[4.5]dec-6-ene;iodozinc(1+)
CID 166436839
Lithium 7-pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 166442817
1-Acetylcyclohexene ethyleneacetal
CID 10678693
7-(3-Iodopropyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 11266807
2-(Cyclohexen-1-yl)-1,3-dioxolane
CID 11412495
1-(Diethoxymethyl)cyclohex-1-ene
CID 12540973

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane?
The IUPAC name of 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane (CID 10558999) is 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane is C=C1COC(C2=CCCCC2)O1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane?
The InChIKey is PHVMCWBWUWETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h5,10H,1-4,6-7H2.
What are the key properties of 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane?
2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane has a molecular weight of 166.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-methylidene-1,3-dioxolane is sourced from PubChem (CID 10558999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).