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

C16H30O2 — CID 139533960

IUPAC2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane
SMILESCC(C)CC1CCC(CC(C)C2OCCO2)CC1
InChIInChI=1S/C16H30O2/c1-12(2)10-14-4-6-15(7-5-14)11-13(3)16-17-8-9-18-16/h12-16H,4-11H2,1-3H3
InChIKeyBOHYLGDODFDQOJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.24
Rot. Bonds5

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

2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane (PubChem CID 139533960) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane
PubChem CID139533960
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane
SMILESCC(C)CC1CCC(CC(C)C2OCCO2)CC1
InChIInChI=1S/C16H30O2/c1-12(2)10-14-4-6-15(7-5-14)11-13(3)16-17-8-9-18-16/h12-16H,4-11H2,1-3H3
InChIKeyBOHYLGDODFDQOJ-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane?
The IUPAC name of 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane (CID 139533960) is 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane is CC(C)CC1CCC(CC(C)C2OCCO2)CC1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane?
The InChIKey is BOHYLGDODFDQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-12(2)10-14-4-6-15(7-5-14)11-13(3)16-17-8-9-18-16/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane?
2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane has a molecular weight of 254.41 g/mol, XLogP of 4.24, 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)cyclohexyl]propan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 139533960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).