2-pentyl-2-phosphanylpropane-1,3-diol

C8H19O2P — CID 87113603

IUPAC2-pentyl-2-phosphanylpropane-1,3-diol
SMILESCCCCCC(P)(CO)CO
InChIInChI=1S/C8H19O2P/c1-2-3-4-5-8(11,6-9)7-10/h9-10H,2-7,11H2,1H3
InChIKeyXMHUENKKZNHIJS-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.17
Rot. Bonds6

About 2-pentyl-2-phosphanylpropane-1,3-diol

2-pentyl-2-phosphanylpropane-1,3-diol (PubChem CID 87113603) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-pentyl-2-phosphanylpropane-1,3-diol.

Molecular Properties

Compound Name2-pentyl-2-phosphanylpropane-1,3-diol
PubChem CID87113603
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Name2-pentyl-2-phosphanylpropane-1,3-diol
SMILESCCCCCC(P)(CO)CO
InChIInChI=1S/C8H19O2P/c1-2-3-4-5-8(11,6-9)7-10/h9-10H,2-7,11H2,1H3
InChIKeyXMHUENKKZNHIJS-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-undecyltricosan-12-ylphosphane
CID 21324491
7-butyltridecan-7-ylphosphane
CID 118892798
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,3-dipentyloctane-1,2,3-triol
CID 87058897
2,2-dioctyldecan-1-ol
CID 87374856
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
5-butylnonan-5-ylphosphane;phosphane;hydroiodide
CID 174377690
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-2-phosphanylpropane-1,3-diol?
The IUPAC name of 2-pentyl-2-phosphanylpropane-1,3-diol (CID 87113603) is 2-pentyl-2-phosphanylpropane-1,3-diol.
What is the SMILES notation for 2-pentyl-2-phosphanylpropane-1,3-diol?
The canonical SMILES for 2-pentyl-2-phosphanylpropane-1,3-diol is CCCCCC(P)(CO)CO.
What is the InChIKey of 2-pentyl-2-phosphanylpropane-1,3-diol?
The InChIKey is XMHUENKKZNHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-2-3-4-5-8(11,6-9)7-10/h9-10H,2-7,11H2,1H3.
What are the key properties of 2-pentyl-2-phosphanylpropane-1,3-diol?
2-pentyl-2-phosphanylpropane-1,3-diol has a molecular weight of 178.21 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2-phosphanylpropane-1,3-diol is sourced from PubChem (CID 87113603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).