(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one

C18H26O — CID 102201797

IUPAC(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one
SMILESCC(C)C[C@@]1(C)CCCC(=O)C1Cc1ccccc1
InChIInChI=1S/C18H26O/c1-14(2)13-18(3)11-7-10-17(19)16(18)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3/t16?,18-/m1/s1
InChIKeyPPWJHEHMPPLIAH-UHUGOGIASA-N
MW258.41 g/mol
LogP4.65
Rot. Bonds4

About (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one

(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one (PubChem CID 102201797) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one
PubChem CID102201797
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one
SMILESCC(C)C[C@@]1(C)CCCC(=O)C1Cc1ccccc1
InChIInChI=1S/C18H26O/c1-14(2)13-18(3)11-7-10-17(19)16(18)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3/t16?,18-/m1/s1
InChIKeyPPWJHEHMPPLIAH-UHUGOGIASA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one?
The IUPAC name of (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one (CID 102201797) is (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one?
The canonical SMILES for (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one is CC(C)C[C@@]1(C)CCCC(=O)C1Cc1ccccc1.
What is the InChIKey of (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one?
The InChIKey is PPWJHEHMPPLIAH-UHUGOGIASA-N. The full InChI is InChI=1S/C18H26O/c1-14(2)13-18(3)11-7-10-17(19)16(18)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3/t16?,18-/m1/s1.
What are the key properties of (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one?
(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one has a molecular weight of 258.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one is sourced from PubChem (CID 102201797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).