bis(2-methylbutyl)phosphinic acid;propane

C16H39O2P — CID 160577161

IUPACbis(2-methylbutyl)phosphinic acid;propane
SMILESCCC.CCC.CCC(C)CP(=O)(O)CC(C)CC
InChIInChI=1S/C10H23O2P.2C3H8/c1-5-9(3)7-13(11,12)8-10(4)6-2;2*1-3-2/h9-10H,5-8H2,1-4H3,(H,11,12);2*3H2,1-2H3
InChIKeyRBHNFOXRVQOECD-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.18
Rot. Bonds6

About bis(2-methylbutyl)phosphinic acid;propane

bis(2-methylbutyl)phosphinic acid;propane (PubChem CID 160577161) has the molecular formula C16H39O2P and a molecular weight of 294.46 g/mol. Its IUPAC name is bis(2-methylbutyl)phosphinic acid;propane.

Molecular Properties

Compound Namebis(2-methylbutyl)phosphinic acid;propane
PubChem CID160577161
Molecular FormulaC16H39O2P
Molecular Weight294.46 g/mol
Exact Mass294.27
IUPAC Namebis(2-methylbutyl)phosphinic acid;propane
SMILESCCC.CCC.CCC(C)CP(=O)(O)CC(C)CC
InChIInChI=1S/C10H23O2P.2C3H8/c1-5-9(3)7-13(11,12)8-10(4)6-2;2*1-3-2/h9-10H,5-8H2,1-4H3,(H,11,12);2*3H2,1-2H3
InChIKeyRBHNFOXRVQOECD-UHFFFAOYSA-N
XLogP6.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutyl)phosphinic acid;propane?
The IUPAC name of bis(2-methylbutyl)phosphinic acid;propane (CID 160577161) is bis(2-methylbutyl)phosphinic acid;propane.
What is the SMILES notation for bis(2-methylbutyl)phosphinic acid;propane?
The canonical SMILES for bis(2-methylbutyl)phosphinic acid;propane is CCC.CCC.CCC(C)CP(=O)(O)CC(C)CC.
What is the InChIKey of bis(2-methylbutyl)phosphinic acid;propane?
The InChIKey is RBHNFOXRVQOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2P.2C3H8/c1-5-9(3)7-13(11,12)8-10(4)6-2;2*1-3-2/h9-10H,5-8H2,1-4H3,(H,11,12);2*3H2,1-2H3.
What are the key properties of bis(2-methylbutyl)phosphinic acid;propane?
bis(2-methylbutyl)phosphinic acid;propane has a molecular weight of 294.46 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutyl)phosphinic acid;propane is sourced from PubChem (CID 160577161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).