di(hexan-3-yl)phosphinic acid

C12H27O2P — CID 141467079

IUPACdi(hexan-3-yl)phosphinic acid
SMILESCCCC(CC)P(=O)(O)C(CC)CCC
InChIInChI=1S/C12H27O2P/c1-5-9-11(7-3)15(13,14)12(8-4)10-6-2/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyQIBBXDUMUJHELY-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.41
Rot. Bonds8

About di(hexan-3-yl)phosphinic acid

di(hexan-3-yl)phosphinic acid (PubChem CID 141467079) has the molecular formula C12H27O2P and a molecular weight of 234.32 g/mol. Its IUPAC name is di(hexan-3-yl)phosphinic acid.

Molecular Properties

Compound Namedi(hexan-3-yl)phosphinic acid
PubChem CID141467079
Molecular FormulaC12H27O2P
Molecular Weight234.32 g/mol
Exact Mass234.17
IUPAC Namedi(hexan-3-yl)phosphinic acid
SMILESCCCC(CC)P(=O)(O)C(CC)CCC
InChIInChI=1S/C12H27O2P/c1-5-9-11(7-3)15(13,14)12(8-4)10-6-2/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyQIBBXDUMUJHELY-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze di(hexan-3-yl)phosphinic 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

2-propylpentylphosphonic acid
CID 172756070
nonan-3-ylphosphonic acid
CID 151472369
diheptan-4-yl hydrogen phosphate
CID 22497552
heptan-4-yl dihydrogen phosphate
CID 18763997
3-di(hexan-3-yl)phosphoryloxyhexane
CID 175211206
3-phosphonohexanoate
CID 23202234
6-ethoxycarbonyloctan-4-ylphosphonic acid
CID 22616131
(1-ethoxy-1-oxohexan-3-yl)phosphonic acid
CID 57060327
2-ethylpentanenitrile;phosphoric acid;hydrate
CID 87127750
methoxymethyl(pentan-3-yl)phosphinic acid
CID 118859987
1-[ethyl(trioxidanyl)phosphoryl]ethane
CID 89425498
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969

Frequently Asked Questions

What is the IUPAC name of di(hexan-3-yl)phosphinic acid?
The IUPAC name of di(hexan-3-yl)phosphinic acid (CID 141467079) is di(hexan-3-yl)phosphinic acid.
What is the SMILES notation for di(hexan-3-yl)phosphinic acid?
The canonical SMILES for di(hexan-3-yl)phosphinic acid is CCCC(CC)P(=O)(O)C(CC)CCC.
What is the InChIKey of di(hexan-3-yl)phosphinic acid?
The InChIKey is QIBBXDUMUJHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2P/c1-5-9-11(7-3)15(13,14)12(8-4)10-6-2/h11-12H,5-10H2,1-4H3,(H,13,14).
What are the key properties of di(hexan-3-yl)phosphinic acid?
di(hexan-3-yl)phosphinic acid has a molecular weight of 234.32 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(hexan-3-yl)phosphinic acid is sourced from PubChem (CID 141467079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).