2-(hydroxymethyl)-2-nonylcyclopentan-1-one

C15H28O2 — CID 13066332

IUPAC2-(hydroxymethyl)-2-nonylcyclopentan-1-one
SMILESCCCCCCCCCC1(CO)CCCC1=O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h16H,2-13H2,1H3
InChIKeyZKSYWXZTXDTILO-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.86
Rot. Bonds9

About 2-(hydroxymethyl)-2-nonylcyclopentan-1-one

2-(hydroxymethyl)-2-nonylcyclopentan-1-one (PubChem CID 13066332) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-nonylcyclopentan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-nonylcyclopentan-1-one
PubChem CID13066332
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(hydroxymethyl)-2-nonylcyclopentan-1-one
SMILESCCCCCCCCCC1(CO)CCCC1=O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h16H,2-13H2,1H3
InChIKeyZKSYWXZTXDTILO-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-nonylcyclopentan-1-one?
The IUPAC name of 2-(hydroxymethyl)-2-nonylcyclopentan-1-one (CID 13066332) is 2-(hydroxymethyl)-2-nonylcyclopentan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-2-nonylcyclopentan-1-one?
The canonical SMILES for 2-(hydroxymethyl)-2-nonylcyclopentan-1-one is CCCCCCCCCC1(CO)CCCC1=O.
What is the InChIKey of 2-(hydroxymethyl)-2-nonylcyclopentan-1-one?
The InChIKey is ZKSYWXZTXDTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h16H,2-13H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-nonylcyclopentan-1-one?
2-(hydroxymethyl)-2-nonylcyclopentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-nonylcyclopentan-1-one is sourced from PubChem (CID 13066332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).