(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one

C17H32O2 — CID 11492721

IUPAC(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one
SMILESCCCCCCCCCCC[C@]1(CO)CCCC1=O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(17)19/h18H,2-15H2,1H3/t17-/m1/s1
InChIKeyZYUKQTGUTBEFON-QGZVFWFLSA-N
MW268.44 g/mol
LogP4.64
Rot. Bonds11

About (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one

(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one (PubChem CID 11492721) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one
PubChem CID11492721
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one
SMILESCCCCCCCCCCC[C@]1(CO)CCCC1=O
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(17)19/h18H,2-15H2,1H3/t17-/m1/s1
InChIKeyZYUKQTGUTBEFON-QGZVFWFLSA-N
XLogP4.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.64
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 (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one (CID 11492721) is (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one is CCCCCCCCCCC[C@]1(CO)CCCC1=O.
What is the InChIKey of (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one?
The InChIKey is ZYUKQTGUTBEFON-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(17)19/h18H,2-15H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one?
(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one has a molecular weight of 268.44 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one is sourced from PubChem (CID 11492721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).