bis(phosphanyl)methyl 3-methylpentanoate

C7H16O2P2 — CID 59064751

IUPACbis(phosphanyl)methyl 3-methylpentanoate
SMILESCCC(C)CC(=O)OC(P)P
InChIInChI=1S/C7H16O2P2/c1-3-5(2)4-6(8)9-7(10)11/h5,7H,3-4,10-11H2,1-2H3
InChIKeyGNFKPUCZIGJGEW-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.00
Rot. Bonds4

About bis(phosphanyl)methyl 3-methylpentanoate

bis(phosphanyl)methyl 3-methylpentanoate (PubChem CID 59064751) has the molecular formula C7H16O2P2 and a molecular weight of 194.15 g/mol. Its IUPAC name is bis(phosphanyl)methyl 3-methylpentanoate.

Molecular Properties

Compound Namebis(phosphanyl)methyl 3-methylpentanoate
PubChem CID59064751
Molecular FormulaC7H16O2P2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Namebis(phosphanyl)methyl 3-methylpentanoate
SMILESCCC(C)CC(=O)OC(P)P
InChIInChI=1S/C7H16O2P2/c1-3-5(2)4-6(8)9-7(10)11/h5,7H,3-4,10-11H2,1-2H3
InChIKeyGNFKPUCZIGJGEW-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-methylpentanoate
CID 519891
(s)-3-Methylvaleric acid methyl ester
CID 12524082
methyl (3R)-3-methylpentanoate
CID 11099291
Methyl 2-ethyl-2-phosphanylbutanoate
CID 23023691
Methyl 3-ethylpentanoate
CID 58960730
[3-Methylpentanoyloxy(phosphanyl)methyl]phosphanium
CID 59064750
Methyl 4,4-bis(phosphanyl)pentanoate
CID 60038366
Ethyl 3-ethyl-2-phosphanylpentanoate
CID 88514515
Methane;methyl 3-methylpentanoate
CID 160534484
Methane;methyl 3-methylpentanoate
CID 161365699
Ethane;methyl 3-methylpentanoate
CID 163292805
Phosphanylmethyl 2-ethylbutanoate
CID 174302965

Frequently Asked Questions

What is the IUPAC name of bis(phosphanyl)methyl 3-methylpentanoate?
The IUPAC name of bis(phosphanyl)methyl 3-methylpentanoate (CID 59064751) is bis(phosphanyl)methyl 3-methylpentanoate.
What is the SMILES notation for bis(phosphanyl)methyl 3-methylpentanoate?
The canonical SMILES for bis(phosphanyl)methyl 3-methylpentanoate is CCC(C)CC(=O)OC(P)P.
What is the InChIKey of bis(phosphanyl)methyl 3-methylpentanoate?
The InChIKey is GNFKPUCZIGJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2P2/c1-3-5(2)4-6(8)9-7(10)11/h5,7H,3-4,10-11H2,1-2H3.
What are the key properties of bis(phosphanyl)methyl 3-methylpentanoate?
bis(phosphanyl)methyl 3-methylpentanoate has a molecular weight of 194.15 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phosphanyl)methyl 3-methylpentanoate is sourced from PubChem (CID 59064751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).