3-ethylpentoxyphosphinous acid

C7H17O2P — CID 139526470

IUPAC3-ethylpentoxyphosphinous acid
SMILESCCC(CC)CCOPO
InChIInChI=1S/C7H17O2P/c1-3-7(4-2)5-6-9-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyGNIWVZAKLOFZQQ-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.33
Rot. Bonds6

About 3-ethylpentoxyphosphinous acid

3-ethylpentoxyphosphinous acid (PubChem CID 139526470) has the molecular formula C7H17O2P and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-ethylpentoxyphosphinous acid.

Molecular Properties

Compound Name3-ethylpentoxyphosphinous acid
PubChem CID139526470
Molecular FormulaC7H17O2P
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name3-ethylpentoxyphosphinous acid
SMILESCCC(CC)CCOPO
InChIInChI=1S/C7H17O2P/c1-3-7(4-2)5-6-9-10-8/h7-8,10H,3-6H2,1-2H3
InChIKeyGNIWVZAKLOFZQQ-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

2-ethyl-4-methoxybutan-1-ol
CID 66058779
3,6-diethyloctane
CID 526424
1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
CID 54377371
1-methoxy-2-(methoxymethyl)butane
CID 23295181
CID 59101409
CID 59101409
3,7-diethylnonane
CID 22089120
2-ethyl-5-methoxypentan-1-ol
CID 66059836
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
4-ethyl-1-(2-methoxyethylamino)hexan-1-ol
CID 155111557
2-propan-2-yloxybutoxyphosphinous acid
CID 144871549
(3R)-3-ethyl-1-methoxynonane
CID 118890071

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentoxyphosphinous acid?
The IUPAC name of 3-ethylpentoxyphosphinous acid (CID 139526470) is 3-ethylpentoxyphosphinous acid.
What is the SMILES notation for 3-ethylpentoxyphosphinous acid?
The canonical SMILES for 3-ethylpentoxyphosphinous acid is CCC(CC)CCOPO.
What is the InChIKey of 3-ethylpentoxyphosphinous acid?
The InChIKey is GNIWVZAKLOFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-3-7(4-2)5-6-9-10-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-ethylpentoxyphosphinous acid?
3-ethylpentoxyphosphinous acid has a molecular weight of 164.18 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentoxyphosphinous acid is sourced from PubChem (CID 139526470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).