phosphane;2-propylhexanoic acid

C9H21O2P — CID 87429538

IUPACphosphane;2-propylhexanoic acid
SMILESCCCCC(CCC)C(=O)O.P
InChIInChI=1S/C9H18O2.H3P/c1-3-5-7-8(6-4-2)9(10)11;/h8H,3-7H2,1-2H3,(H,10,11);1H3
InChIKeyQOXHUZBHPBXGAX-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.74
Rot. Bonds6

About phosphane;2-propylhexanoic acid

phosphane;2-propylhexanoic acid (PubChem CID 87429538) has the molecular formula C9H21O2P and a molecular weight of 192.24 g/mol. Its IUPAC name is phosphane;2-propylhexanoic acid.

Molecular Properties

Compound Namephosphane;2-propylhexanoic acid
PubChem CID87429538
Molecular FormulaC9H21O2P
Molecular Weight192.24 g/mol
Exact Mass192.13
IUPAC Namephosphane;2-propylhexanoic acid
SMILESCCCCC(CCC)C(=O)O.P
InChIInChI=1S/C9H18O2.H3P/c1-3-5-7-8(6-4-2)9(10)11;/h8H,3-7H2,1-2H3,(H,10,11);1H3
InChIKeyQOXHUZBHPBXGAX-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phosphane;2-propylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

λ2-stannane;2-propylhexanoic acid
CID 174232814
CID 87702087
CID 87702087
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
azane;2,7-dibutyloctanedioic acid
CID 174821009
(2S)-2-butyldecanoic acid
CID 98176194
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-hexylpentacosanoic acid
CID 158257677

Frequently Asked Questions

What is the IUPAC name of phosphane;2-propylhexanoic acid?
The IUPAC name of phosphane;2-propylhexanoic acid (CID 87429538) is phosphane;2-propylhexanoic acid.
What is the SMILES notation for phosphane;2-propylhexanoic acid?
The canonical SMILES for phosphane;2-propylhexanoic acid is CCCCC(CCC)C(=O)O.P.
What is the InChIKey of phosphane;2-propylhexanoic acid?
The InChIKey is QOXHUZBHPBXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.H3P/c1-3-5-7-8(6-4-2)9(10)11;/h8H,3-7H2,1-2H3,(H,10,11);1H3.
What are the key properties of phosphane;2-propylhexanoic acid?
phosphane;2-propylhexanoic acid has a molecular weight of 192.24 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;2-propylhexanoic acid is sourced from PubChem (CID 87429538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).