2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane

C12H20O2 — CID 135032763

IUPAC2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane
SMILESC(=C/C1CCCCC1)\CC1OCCO1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h4,7,11-12H,1-3,5-6,8-10H2/b7-4+
InChIKeyDSNBGQRJMHONAP-QPJJXVBHSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane

2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane (PubChem CID 135032763) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane
PubChem CID135032763
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane
SMILESC(=C/C1CCCCC1)\CC1OCCO1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h4,7,11-12H,1-3,5-6,8-10H2/b7-4+
InChIKeyDSNBGQRJMHONAP-QPJJXVBHSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
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

2-(Cyclohex-3-en-1-yl)-1,3-dioxolane
CID 241098
2-(Cyclohex-3-en-1-yl)-4-methyl-1,3-dioxolane
CID 241091
2-[(E)-2-cyclohexylethenyl]-1,3-dioxolane
CID 125476243
2-(3,6-Dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane
CID 11970894
2-(6-Methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 230184
2-Cyclohex-3-en-1-yl-4,5-dimethyl-1,3-dioxolane
CID 241092
2-(2-Cyclopent-2-en-1-ylethyl)-1,3-dioxolane
CID 85793781
2-(2-Cyclohex-2-en-1-ylethyl)-1,3-dioxolane
CID 85793782
2-(4-Methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3838972
2-(2-Cyclohexen-1-yl)-1,3-dioxolane
CID 53765644
2-[2-(4-Tert-butylcyclohexylidene)ethyl]-1,3-dioxolane
CID 69865104
2-[(Z)-3-cyclopentylprop-2-enyl]-1,3-dioxolane
CID 90425462

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane (CID 135032763) is 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane is C(=C/C1CCCCC1)\CC1OCCO1.
What is the InChIKey of 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane?
The InChIKey is DSNBGQRJMHONAP-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h4,7,11-12H,1-3,5-6,8-10H2/b7-4+.
What are the key properties of 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane?
2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-cyclohexylprop-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 135032763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).