2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane

C16H28O2 — CID 139533936

IUPAC2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane
SMILESCC(C)CC1CC=C(CC(C)C2OCCO2)CC1
InChIInChI=1S/C16H28O2/c1-12(2)10-14-4-6-15(7-5-14)11-13(3)16-17-8-9-18-16/h6,12-14,16H,4-5,7-11H2,1-3H3
InChIKeyLJJGBPDPKNNXOB-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.16
Rot. Bonds5

About 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane

2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane (PubChem CID 139533936) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane
PubChem CID139533936
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane
SMILESCC(C)CC1CC=C(CC(C)C2OCCO2)CC1
InChIInChI=1S/C16H28O2/c1-12(2)10-14-4-6-15(7-5-14)11-13(3)16-17-8-9-18-16/h6,12-14,16H,4-5,7-11H2,1-3H3
InChIKeyLJJGBPDPKNNXOB-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.16
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-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane (CID 139533936) is 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane is CC(C)CC1CC=C(CC(C)C2OCCO2)CC1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane?
The InChIKey is LJJGBPDPKNNXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12(2)10-14-4-6-15(7-5-14)11-13(3)16-17-8-9-18-16/h6,12-14,16H,4-5,7-11H2,1-3H3.
What are the key properties of 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane?
2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane has a molecular weight of 252.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylpropyl)cyclohexen-1-yl]propan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 139533936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).