4-(2-methylpropyl)cyclohexan-1-one

C10H18O — CID 14740079

IUPAC4-(2-methylpropyl)cyclohexan-1-one
SMILESCC(C)CC1CCC(=O)CC1
InChIInChI=1S/C10H18O/c1-8(2)7-9-3-5-10(11)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyASSYWVLYXRBXPL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds2

About 4-(2-methylpropyl)cyclohexan-1-one

4-(2-methylpropyl)cyclohexan-1-one (PubChem CID 14740079) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-(2-methylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-methylpropyl)cyclohexan-1-one
PubChem CID14740079
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-(2-methylpropyl)cyclohexan-1-one
SMILESCC(C)CC1CCC(=O)CC1
InChIInChI=1S/C10H18O/c1-8(2)7-9-3-5-10(11)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyASSYWVLYXRBXPL-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)cyclohexan-1-one?
The IUPAC name of 4-(2-methylpropyl)cyclohexan-1-one (CID 14740079) is 4-(2-methylpropyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-methylpropyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-methylpropyl)cyclohexan-1-one is CC(C)CC1CCC(=O)CC1.
What is the InChIKey of 4-(2-methylpropyl)cyclohexan-1-one?
The InChIKey is ASSYWVLYXRBXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)7-9-3-5-10(11)6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)cyclohexan-1-one?
4-(2-methylpropyl)cyclohexan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)cyclohexan-1-one is sourced from PubChem (CID 14740079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).