CID 177007311

C7H16BO4P — CID 177007311

IUPAC—
SMILES[B]CCCOP(=O)(OCC)OCC
InChIInChI=1S/C7H16BO4P/c1-3-10-13(9,11-4-2)12-7-5-6-8/h3-7H2,1-2H3
InChIKeyCLZIIPBETPYOSV-UHFFFAOYSA-N
MW205.99 g/mol
LogP2.16
Rot. Bonds8

About CID 177007311

CID 177007311 (PubChem CID 177007311) has the molecular formula C7H16BO4P and a molecular weight of 205.99 g/mol.

Molecular Properties

Compound NameCID 177007311
PubChem CID177007311
Molecular FormulaC7H16BO4P
Molecular Weight205.99 g/mol
Exact Mass206.09
IUPAC Name—
SMILES[B]CCCOP(=O)(OCC)OCC
InChIInChI=1S/C7H16BO4P/c1-3-10-13(9,11-4-2)12-7-5-6-8/h3-7H2,1-2H3
InChIKeyCLZIIPBETPYOSV-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-ethoxyethyl diethyl phosphate
CID 3052884
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
ethyl iodomethyl octyl phosphate
CID 88723495
sulfur trioxide;triethyl phosphate
CID 86745268
triethyl phosphate;bis(trimethylsilane)
CID 175760856
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951

Frequently Asked Questions

What is the IUPAC name of CID 177007311?
The IUPAC name of CID 177007311 (CID 177007311) is not available.
What is the SMILES notation for CID 177007311?
The canonical SMILES for CID 177007311 is [B]CCCOP(=O)(OCC)OCC.
What is the InChIKey of CID 177007311?
The InChIKey is CLZIIPBETPYOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BO4P/c1-3-10-13(9,11-4-2)12-7-5-6-8/h3-7H2,1-2H3.
What are the key properties of CID 177007311?
CID 177007311 has a molecular weight of 205.99 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177007311 is sourced from PubChem (CID 177007311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).