2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane

C10H16O2 — CID 3838972

IUPAC2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCC(C2OCCO2)CC1
InChIInChI=1S/C10H16O2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2,9-10H,3-7H2,1H3
InChIKeyAFEQYBMEZSFBMM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds1

About 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane

2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane (PubChem CID 3838972) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
PubChem CID3838972
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
SMILESCC1=CCC(C2OCCO2)CC1
InChIInChI=1S/C10H16O2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2,9-10H,3-7H2,1H3
InChIKeyAFEQYBMEZSFBMM-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
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-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane (CID 3838972) is 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane is CC1=CCC(C2OCCO2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
The InChIKey is AFEQYBMEZSFBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2,9-10H,3-7H2,1H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane?
2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane is sourced from PubChem (CID 3838972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).