(3-ethyl-2-methylpentan-3-yl)phosphonic acid

C8H19O3P — CID 71437145

IUPAC(3-ethyl-2-methylpentan-3-yl)phosphonic acid
SMILESCCC(CC)(C(C)C)P(=O)(O)O
InChIInChI=1S/C8H19O3P/c1-5-8(6-2,7(3)4)12(9,10)11/h7H,5-6H2,1-4H3,(H2,9,10,11)
InChIKeyDNSZVTNZSNXLAV-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.38
Rot. Bonds4

About (3-ethyl-2-methylpentan-3-yl)phosphonic acid

(3-ethyl-2-methylpentan-3-yl)phosphonic acid (PubChem CID 71437145) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is (3-ethyl-2-methylpentan-3-yl)phosphonic acid.

Molecular Properties

Compound Name(3-ethyl-2-methylpentan-3-yl)phosphonic acid
PubChem CID71437145
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name(3-ethyl-2-methylpentan-3-yl)phosphonic acid
SMILESCCC(CC)(C(C)C)P(=O)(O)O
InChIInChI=1S/C8H19O3P/c1-5-8(6-2,7(3)4)12(9,10)11/h7H,5-6H2,1-4H3,(H2,9,10,11)
InChIKeyDNSZVTNZSNXLAV-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 (3-ethyl-2-methylpentan-3-yl)phosphonic acid?
The IUPAC name of (3-ethyl-2-methylpentan-3-yl)phosphonic acid (CID 71437145) is (3-ethyl-2-methylpentan-3-yl)phosphonic acid.
What is the SMILES notation for (3-ethyl-2-methylpentan-3-yl)phosphonic acid?
The canonical SMILES for (3-ethyl-2-methylpentan-3-yl)phosphonic acid is CCC(CC)(C(C)C)P(=O)(O)O.
What is the InChIKey of (3-ethyl-2-methylpentan-3-yl)phosphonic acid?
The InChIKey is DNSZVTNZSNXLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-5-8(6-2,7(3)4)12(9,10)11/h7H,5-6H2,1-4H3,(H2,9,10,11).
What are the key properties of (3-ethyl-2-methylpentan-3-yl)phosphonic acid?
(3-ethyl-2-methylpentan-3-yl)phosphonic acid has a molecular weight of 194.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylpentan-3-yl)phosphonic acid is sourced from PubChem (CID 71437145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).