[(1R,2R)-2-pentylcyclopentyl]methanol

C11H22O — CID 10821055

IUPAC[(1R,2R)-2-pentylcyclopentyl]methanol
SMILESCCCCC[C@@H]1CCC[C@H]1CO
InChIInChI=1S/C11H22O/c1-2-3-4-6-10-7-5-8-11(10)9-12/h10-12H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyUNGCJKTVTSDZOE-MNOVXSKESA-N
MW170.30 g/mol
LogP2.98
Rot. Bonds5

About [(1R,2R)-2-pentylcyclopentyl]methanol

[(1R,2R)-2-pentylcyclopentyl]methanol (PubChem CID 10821055) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is [(1R,2R)-2-pentylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-pentylcyclopentyl]methanol
PubChem CID10821055
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name[(1R,2R)-2-pentylcyclopentyl]methanol
SMILESCCCCC[C@@H]1CCC[C@H]1CO
InChIInChI=1S/C11H22O/c1-2-3-4-6-10-7-5-8-11(10)9-12/h10-12H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyUNGCJKTVTSDZOE-MNOVXSKESA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(1R,2R)-2-pentylcyclopentyl]methanol?
The IUPAC name of [(1R,2R)-2-pentylcyclopentyl]methanol (CID 10821055) is [(1R,2R)-2-pentylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2R)-2-pentylcyclopentyl]methanol?
The canonical SMILES for [(1R,2R)-2-pentylcyclopentyl]methanol is CCCCC[C@@H]1CCC[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-pentylcyclopentyl]methanol?
The InChIKey is UNGCJKTVTSDZOE-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-4-6-10-7-5-8-11(10)9-12/h10-12H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1R,2R)-2-pentylcyclopentyl]methanol?
[(1R,2R)-2-pentylcyclopentyl]methanol has a molecular weight of 170.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-pentylcyclopentyl]methanol is sourced from PubChem (CID 10821055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).