3-ethylheptan-3-yloxyphosphinous acid

C9H21O2P — CID 141201848

IUPAC3-ethylheptan-3-yloxyphosphinous acid
SMILESCCCCC(CC)(CC)OPO
InChIInChI=1S/C9H21O2P/c1-4-7-8-9(5-2,6-3)11-12-10/h10,12H,4-8H2,1-3H3
InChIKeyGGUABLMHMPTWHF-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.25
Rot. Bonds7

About 3-ethylheptan-3-yloxyphosphinous acid

3-ethylheptan-3-yloxyphosphinous acid (PubChem CID 141201848) has the molecular formula C9H21O2P and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-ethylheptan-3-yloxyphosphinous acid.

Molecular Properties

Compound Name3-ethylheptan-3-yloxyphosphinous acid
PubChem CID141201848
Molecular FormulaC9H21O2P
Molecular Weight192.24 g/mol
Exact Mass192.13
IUPAC Name3-ethylheptan-3-yloxyphosphinous acid
SMILESCCCCC(CC)(CC)OPO
InChIInChI=1S/C9H21O2P/c1-4-7-8-9(5-2,6-3)11-12-10/h10,12H,4-8H2,1-3H3
InChIKeyGGUABLMHMPTWHF-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(3-ethylheptan-3-yloxy)alumane
CID 141438993
tris(3-ethylheptan-3-yl) phosphite
CID 175009117
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
3-ethyl-3-hydroperoxytridecane
CID 140733477
3-ethyl-3-methoxydecane
CID 89190150
3-butoxy-3-ethyloctane
CID 156635634
(2-acetyloxy-2-ethylhexyl) acetate
CID 131843569
3-ethyl-3-hydroperoxyperoxyundecane
CID 140733468
3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 22107490
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
5-propylnonan-5-yloxyphosphane
CID 23352969

Frequently Asked Questions

What is the IUPAC name of 3-ethylheptan-3-yloxyphosphinous acid?
The IUPAC name of 3-ethylheptan-3-yloxyphosphinous acid (CID 141201848) is 3-ethylheptan-3-yloxyphosphinous acid.
What is the SMILES notation for 3-ethylheptan-3-yloxyphosphinous acid?
The canonical SMILES for 3-ethylheptan-3-yloxyphosphinous acid is CCCCC(CC)(CC)OPO.
What is the InChIKey of 3-ethylheptan-3-yloxyphosphinous acid?
The InChIKey is GGUABLMHMPTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2P/c1-4-7-8-9(5-2,6-3)11-12-10/h10,12H,4-8H2,1-3H3.
What are the key properties of 3-ethylheptan-3-yloxyphosphinous acid?
3-ethylheptan-3-yloxyphosphinous acid has a molecular weight of 192.24 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylheptan-3-yloxyphosphinous acid is sourced from PubChem (CID 141201848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).