CID 134857162

C6H12BO3P — CID 134857162

IUPAC—
SMILES[B]/C=C\P(=O)(OCC)OCC
InChIInChI=1S/C6H12BO3P/c1-3-9-11(8,6-5-7)10-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyVVGXMEPOUSBXKE-WAYWQWQTSA-N
MW173.95 g/mol
LogP1.89
Rot. Bonds5

About CID 134857162

CID 134857162 (PubChem CID 134857162) has the molecular formula C6H12BO3P and a molecular weight of 173.95 g/mol.

Molecular Properties

Compound NameCID 134857162
PubChem CID134857162
Molecular FormulaC6H12BO3P
Molecular Weight173.95 g/mol
Exact Mass174.06
IUPAC Name—
SMILES[B]/C=C\P(=O)(OCC)OCC
InChIInChI=1S/C6H12BO3P/c1-3-9-11(8,6-5-7)10-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyVVGXMEPOUSBXKE-WAYWQWQTSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.95
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane
CID 23415625
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 139664435
(1E,3E)-4-diethoxyphosphoryl-2-methylbuta-1,3-dien-1-ol
CID 15453808
1-diethoxyphosphoryl-3-methyl-3-nitrosobut-1-ene
CID 174930792
tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
CID 177387685
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
CID 123175625
5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene
CID 101023826
3-(diethoxyphosphorylmethylidene)oxetane
CID 46203851
2-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]-1,3,5-trimethylbenzene
CID 71606180

Frequently Asked Questions

What is the IUPAC name of CID 134857162?
The IUPAC name of CID 134857162 (CID 134857162) is not available.
What is the SMILES notation for CID 134857162?
The canonical SMILES for CID 134857162 is [B]/C=C\P(=O)(OCC)OCC.
What is the InChIKey of CID 134857162?
The InChIKey is VVGXMEPOUSBXKE-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12BO3P/c1-3-9-11(8,6-5-7)10-4-2/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of CID 134857162?
CID 134857162 has a molecular weight of 173.95 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134857162 is sourced from PubChem (CID 134857162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).