butyl(2-methylheptan-3-yl)phosphinic acid

C12H27O2P — CID 88778488

IUPACbutyl(2-methylheptan-3-yl)phosphinic acid
SMILESCCCCC(C(C)C)P(=O)(O)CCCC
InChIInChI=1S/C12H27O2P/c1-5-7-9-12(11(3)4)15(13,14)10-8-6-2/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyDLZJXCHBFZVYKQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.27
Rot. Bonds8

About butyl(2-methylheptan-3-yl)phosphinic acid

butyl(2-methylheptan-3-yl)phosphinic acid (PubChem CID 88778488) has the molecular formula C12H27O2P and a molecular weight of 234.32 g/mol. Its IUPAC name is butyl(2-methylheptan-3-yl)phosphinic acid.

Molecular Properties

Compound Namebutyl(2-methylheptan-3-yl)phosphinic acid
PubChem CID88778488
Molecular FormulaC12H27O2P
Molecular Weight234.32 g/mol
Exact Mass234.17
IUPAC Namebutyl(2-methylheptan-3-yl)phosphinic acid
SMILESCCCCC(C(C)C)P(=O)(O)CCCC
InChIInChI=1S/C12H27O2P/c1-5-7-9-12(11(3)4)15(13,14)10-8-6-2/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyDLZJXCHBFZVYKQ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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

phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
1,1-diphosphonohexan-2-ylphosphonic acid
CID 173086475
hexan-2-amine;phosphoric acid;propane
CID 175129773
(2,5-dimethyl-3-oxononan-2-yl)phosphonic acid
CID 88707841
butyl(methyl)phosphinic acid
CID 10909622
butylphosphonic acid;neodymium
CID 134499527
butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium
CID 159971579
2,2-dimethylheptan-3-yl dihydrogen phosphate
CID 151613956
5-chlorononane;phosphoric acid
CID 88768187
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
potassium;butylphosphonic acid;hydride
CID 174388690
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870

Frequently Asked Questions

What is the IUPAC name of butyl(2-methylheptan-3-yl)phosphinic acid?
The IUPAC name of butyl(2-methylheptan-3-yl)phosphinic acid (CID 88778488) is butyl(2-methylheptan-3-yl)phosphinic acid.
What is the SMILES notation for butyl(2-methylheptan-3-yl)phosphinic acid?
The canonical SMILES for butyl(2-methylheptan-3-yl)phosphinic acid is CCCCC(C(C)C)P(=O)(O)CCCC.
What is the InChIKey of butyl(2-methylheptan-3-yl)phosphinic acid?
The InChIKey is DLZJXCHBFZVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2P/c1-5-7-9-12(11(3)4)15(13,14)10-8-6-2/h11-12H,5-10H2,1-4H3,(H,13,14).
What are the key properties of butyl(2-methylheptan-3-yl)phosphinic acid?
butyl(2-methylheptan-3-yl)phosphinic acid has a molecular weight of 234.32 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-methylheptan-3-yl)phosphinic acid is sourced from PubChem (CID 88778488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).