(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol

C15H28O2 — CID 10657705

IUPAC(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol
SMILESCCCCCCCCC[C@]1(CO)CC=C[C@@H]1O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h9-10,14,16-17H,2-8,11-13H2,1H3/t14-,15+/m0/s1
InChIKeyGSXILQZCKRZOGO-LSDHHAIUSA-N
MW240.39 g/mol
LogP3.43
Rot. Bonds9

About (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol

(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol (PubChem CID 10657705) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol
PubChem CID10657705
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol
SMILESCCCCCCCCC[C@]1(CO)CC=C[C@@H]1O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h9-10,14,16-17H,2-8,11-13H2,1H3/t14-,15+/m0/s1
InChIKeyGSXILQZCKRZOGO-LSDHHAIUSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol?
The IUPAC name of (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol (CID 10657705) is (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol is CCCCCCCCC[C@]1(CO)CC=C[C@@H]1O.
What is the InChIKey of (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol?
The InChIKey is GSXILQZCKRZOGO-LSDHHAIUSA-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/h9-10,14,16-17H,2-8,11-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol?
(1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-(hydroxymethyl)-5-nonylcyclopent-2-en-1-ol is sourced from PubChem (CID 10657705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).