2-dipropylphosphanylacetic acid

C8H17O2P — CID 54334130

IUPAC2-dipropylphosphanylacetic acid
SMILESCCCP(CCC)CC(=O)O
InChIInChI=1S/C8H17O2P/c1-3-5-11(6-4-2)7-8(9)10/h3-7H2,1-2H3,(H,9,10)
InChIKeyTUGIILAEQUHCJC-UHFFFAOYSA-N
MW176.20 g/mol
LogP2.37
Rot. Bonds6

About 2-dipropylphosphanylacetic acid

2-dipropylphosphanylacetic acid (PubChem CID 54334130) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-dipropylphosphanylacetic acid.

Molecular Properties

Compound Name2-dipropylphosphanylacetic acid
PubChem CID54334130
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name2-dipropylphosphanylacetic acid
SMILESCCCP(CCC)CC(=O)O
InChIInChI=1S/C8H17O2P/c1-3-5-11(6-4-2)7-8(9)10/h3-7H2,1-2H3,(H,9,10)
InChIKeyTUGIILAEQUHCJC-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 52.37
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

bis(tripropylphosphane);zirconium(2+);tetrachloride
CID 23286584
diethyl(propyl)phosphane
CID 19828866
nickel(2+);bis(tripropylphosphane);dichloride
CID 173106713
oxotitanium;propanoic acid
CID 174052944
carbonic acid;trioctylphosphane
CID 174362126
acetic acid;bis(tributylphosphane);hydrochloride
CID 174344265
3-[2-carboxyethyl(dodecyl)phosphanyl]propanoic acid
CID 88838976
butane;butanedioic acid
CID 158477539
bis(dipropylphosphanylmethyl)-propylphosphane
CID 90108220
3-[2-carboxyethyl(2-hydroperoxyprop-2-enyl)phosphanyl]propanoic acid
CID 23572880
propanoic acid;zirconium
CID 88666887
propanoic acid;dihydrofluoride
CID 173419874

Frequently Asked Questions

What is the IUPAC name of 2-dipropylphosphanylacetic acid?
The IUPAC name of 2-dipropylphosphanylacetic acid (CID 54334130) is 2-dipropylphosphanylacetic acid.
What is the SMILES notation for 2-dipropylphosphanylacetic acid?
The canonical SMILES for 2-dipropylphosphanylacetic acid is CCCP(CCC)CC(=O)O.
What is the InChIKey of 2-dipropylphosphanylacetic acid?
The InChIKey is TUGIILAEQUHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-3-5-11(6-4-2)7-8(9)10/h3-7H2,1-2H3,(H,9,10).
What are the key properties of 2-dipropylphosphanylacetic acid?
2-dipropylphosphanylacetic acid has a molecular weight of 176.20 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dipropylphosphanylacetic acid is sourced from PubChem (CID 54334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).