2-cyclopentylbutyl-hydroxy-oxophosphanium

C9H18O2P+ — CID 155059434

IUPAC2-cyclopentylbutyl-hydroxy-oxophosphanium
SMILESCCC(C[P+](=O)O)C1CCCC1
InChIInChI=1S/C9H17O2P/c1-2-8(7-12(10)11)9-5-3-4-6-9/h8-9H,2-7H2,1H3/p+1
InChIKeyAJERRDHEJRGBEW-UHFFFAOYSA-O
MW189.21 g/mol
LogP2.94
Rot. Bonds4

About 2-cyclopentylbutyl-hydroxy-oxophosphanium

2-cyclopentylbutyl-hydroxy-oxophosphanium (PubChem CID 155059434) has the molecular formula C9H18O2P+ and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-cyclopentylbutyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-cyclopentylbutyl-hydroxy-oxophosphanium
PubChem CID155059434
Molecular FormulaC9H18O2P+
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-cyclopentylbutyl-hydroxy-oxophosphanium
SMILESCCC(C[P+](=O)O)C1CCCC1
InChIInChI=1S/C9H17O2P/c1-2-8(7-12(10)11)9-5-3-4-6-9/h8-9H,2-7H2,1H3/p+1
InChIKeyAJERRDHEJRGBEW-UHFFFAOYSA-O
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclooctylbutan-1-ol
CID 122210665
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
1,3-dicyclohexylpentan-1-one
CID 145376724
4-cyclohexylhexan-2-ol
CID 11830109
2-amino-4-cyclohexylhexanoic acid
CID 19433409
pentan-3-ylcyclopropane
CID 19042038
5-cyclohexylheptan-2-ol
CID 89364025
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
[(2R)-2-cyclohexylbutyl]-methylazanium
CID 1274495
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylbutyl-hydroxy-oxophosphanium?
The IUPAC name of 2-cyclopentylbutyl-hydroxy-oxophosphanium (CID 155059434) is 2-cyclopentylbutyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-cyclopentylbutyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-cyclopentylbutyl-hydroxy-oxophosphanium is CCC(C[P+](=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentylbutyl-hydroxy-oxophosphanium?
The InChIKey is AJERRDHEJRGBEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17O2P/c1-2-8(7-12(10)11)9-5-3-4-6-9/h8-9H,2-7H2,1H3/p+1.
What are the key properties of 2-cyclopentylbutyl-hydroxy-oxophosphanium?
2-cyclopentylbutyl-hydroxy-oxophosphanium has a molecular weight of 189.21 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylbutyl-hydroxy-oxophosphanium is sourced from PubChem (CID 155059434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).