2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane

C14H24O2 — CID 162745472

IUPAC2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
SMILESCC(C)C1CC=C(CCC2OCCO2)CC1
InChIInChI=1S/C14H24O2/c1-11(2)13-6-3-12(4-7-13)5-8-14-15-9-10-16-14/h3,11,13-14H,4-10H2,1-2H3
InChIKeyIWICBGHHQNRLDH-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds4

About 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane

2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane (PubChem CID 162745472) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
PubChem CID162745472
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
SMILESCC(C)C1CC=C(CCC2OCCO2)CC1
InChIInChI=1S/C14H24O2/c1-11(2)13-6-3-12(4-7-13)5-8-14-15-9-10-16-14/h3,11,13-14H,4-10H2,1-2H3
InChIKeyIWICBGHHQNRLDH-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.52
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-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane (CID 162745472) is 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane is CC(C)C1CC=C(CCC2OCCO2)CC1.
What is the InChIKey of 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
The InChIKey is IWICBGHHQNRLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)13-6-3-12(4-7-13)5-8-14-15-9-10-16-14/h3,11,13-14H,4-10H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane?
2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 162745472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).