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

C9H14O2 — CID 11412495

IUPAC2-(cyclohexen-1-yl)-1,3-dioxolane
SMILESC1=C(C2OCCO2)CCCC1
InChIInChI=1S/C9H14O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h4,9H,1-3,5-7H2
InChIKeyMIIOTBYLGOFAST-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds1

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

2-(cyclohexen-1-yl)-1,3-dioxolane (PubChem CID 11412495) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1,3-dioxolane
PubChem CID11412495
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(cyclohexen-1-yl)-1,3-dioxolane
SMILESC1=C(C2OCCO2)CCCC1
InChIInChI=1S/C9H14O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h4,9H,1-3,5-7H2
InChIKeyMIIOTBYLGOFAST-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(cyclohexen-1-yl)-1,3-dioxolane (CID 11412495) is 2-(cyclohexen-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(cyclohexen-1-yl)-1,3-dioxolane is C1=C(C2OCCO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1,3-dioxolane?
The InChIKey is MIIOTBYLGOFAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h4,9H,1-3,5-7H2.
What are the key properties of 2-(cyclohexen-1-yl)-1,3-dioxolane?
2-(cyclohexen-1-yl)-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 1.86, 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)-1,3-dioxolane is sourced from PubChem (CID 11412495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).