4,4-bis(dimethoxyphosphoryl)butylbenzene

C14H24O6P2 — CID 10308932

IUPAC4,4-bis(dimethoxyphosphoryl)butylbenzene
SMILESCOP(=O)(OC)C(CCCc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24O6P2/c1-17-21(15,18-2)14(22(16,19-3)20-4)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3
InChIKeyGZQHVRLGRSLEHX-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.31
Rot. Bonds10

About 4,4-bis(dimethoxyphosphoryl)butylbenzene

4,4-bis(dimethoxyphosphoryl)butylbenzene (PubChem CID 10308932) has the molecular formula C14H24O6P2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 4,4-bis(dimethoxyphosphoryl)butylbenzene.

Molecular Properties

Compound Name4,4-bis(dimethoxyphosphoryl)butylbenzene
PubChem CID10308932
Molecular FormulaC14H24O6P2
Molecular Weight350.29 g/mol
Exact Mass350.10
IUPAC Name4,4-bis(dimethoxyphosphoryl)butylbenzene
SMILESCOP(=O)(OC)C(CCCc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24O6P2/c1-17-21(15,18-2)14(22(16,19-3)20-4)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3
InChIKeyGZQHVRLGRSLEHX-UHFFFAOYSA-N
XLogP4.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(dimethoxyphosphoryl)butylbenzene?
The IUPAC name of 4,4-bis(dimethoxyphosphoryl)butylbenzene (CID 10308932) is 4,4-bis(dimethoxyphosphoryl)butylbenzene.
What is the SMILES notation for 4,4-bis(dimethoxyphosphoryl)butylbenzene?
The canonical SMILES for 4,4-bis(dimethoxyphosphoryl)butylbenzene is COP(=O)(OC)C(CCCc1ccccc1)P(=O)(OC)OC.
What is the InChIKey of 4,4-bis(dimethoxyphosphoryl)butylbenzene?
The InChIKey is GZQHVRLGRSLEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6P2/c1-17-21(15,18-2)14(22(16,19-3)20-4)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3.
What are the key properties of 4,4-bis(dimethoxyphosphoryl)butylbenzene?
4,4-bis(dimethoxyphosphoryl)butylbenzene has a molecular weight of 350.29 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(dimethoxyphosphoryl)butylbenzene is sourced from PubChem (CID 10308932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).