5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one

C11H20O2 — CID 134419420

IUPAC5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one
SMILESCC(C)(C)CC1CCC(O)C(=O)C1
InChIInChI=1S/C11H20O2/c1-11(2,3)7-8-4-5-9(12)10(13)6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyLDLHZSKHBCDLBR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one

5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one (PubChem CID 134419420) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one
PubChem CID134419420
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one
SMILESCC(C)(C)CC1CCC(O)C(=O)C1
InChIInChI=1S/C11H20O2/c1-11(2,3)7-8-4-5-9(12)10(13)6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyLDLHZSKHBCDLBR-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one (CID 134419420) is 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one is CC(C)(C)CC1CCC(O)C(=O)C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one?
The InChIKey is LDLHZSKHBCDLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)7-8-4-5-9(12)10(13)6-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one?
5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one is sourced from PubChem (CID 134419420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).