2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one

C10H18O2 — CID 14136531

IUPAC2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CCC(C)(CO)C1=O
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-11)9(8)12/h7-8,11H,4-6H2,1-3H3
InChIKeyLXLZQRQEWWWJCC-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.62
Rot. Bonds2

About 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one

2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one (PubChem CID 14136531) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
PubChem CID14136531
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CCC(C)(CO)C1=O
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-11)9(8)12/h7-8,11H,4-6H2,1-3H3
InChIKeyLXLZQRQEWWWJCC-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one (CID 14136531) is 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one is CC(C)C1CCC(C)(CO)C1=O.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
The InChIKey is LXLZQRQEWWWJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-11)9(8)12/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 14136531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).