[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane

C29H58O12P2Si2 — CID 141360578

IUPAC[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane
SMILESCO[Si](CCCC(CCC[Si](OC)(OC)OC)(P(=O)(OCC1CC1)OCC1CC1)P(=O)(OCC1CC1)OCC1CC1)(OC)OC
InChIInChI=1S/C29H58O12P2Si2/c1-32-44(33-2,34-3)19-7-17-29(18-8-20-45(35-4,36-5)37-6,42(30,38-21-25-9-10-25)39-22-26-11-12-26)43(31,40-23-27-13-14-27)41-24-28-15-16-28/h25-28H,7-24H2,1-6H3
InChIKeyURLILFQWYQSQKO-UHFFFAOYSA-N
MW716.89 g/mol
LogP7.09
Rot. Bonds28

About [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane

[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane (PubChem CID 141360578) has the molecular formula C29H58O12P2Si2 and a molecular weight of 716.89 g/mol. Its IUPAC name is [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane.

Molecular Properties

Compound Name[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane
PubChem CID141360578
Molecular FormulaC29H58O12P2Si2
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane
SMILESCO[Si](CCCC(CCC[Si](OC)(OC)OC)(P(=O)(OCC1CC1)OCC1CC1)P(=O)(OCC1CC1)OCC1CC1)(OC)OC
InChIInChI=1S/C29H58O12P2Si2/c1-32-44(33-2,34-3)19-7-17-29(18-8-20-45(35-4,36-5)37-6,42(30,38-21-25-9-10-25)39-22-26-11-12-26)43(31,40-23-27-13-14-27)41-24-28-15-16-28/h25-28H,7-24H2,1-6H3
InChIKeyURLILFQWYQSQKO-UHFFFAOYSA-N
XLogP7.09
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane
CID 89468719
trimethoxy(3-piperidin-4-ylpropyl)silane
CID 68866239
2-cyclopentylethyl(trimethoxy)silane
CID 22412540
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
2,2-dimethyl-5-trimethoxysilylpentanal
CID 86093954
2-[2-hydroxyethoxy-methoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87722976
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
[4-(3-trimethoxysilylpropylcarbamoyloxymethyl)cyclohexyl]methyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034547
1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 150839011
trimethoxy-[2-(7-thiabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 54306465
trimethoxy-[2-(oxetan-3-yl)ethyl]silane
CID 140719506
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950

Frequently Asked Questions

What is the IUPAC name of [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane?
The IUPAC name of [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane (CID 141360578) is [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane.
What is the SMILES notation for [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane?
The canonical SMILES for [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane is CO[Si](CCCC(CCC[Si](OC)(OC)OC)(P(=O)(OCC1CC1)OCC1CC1)P(=O)(OCC1CC1)OCC1CC1)(OC)OC.
What is the InChIKey of [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane?
The InChIKey is URLILFQWYQSQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O12P2Si2/c1-32-44(33-2,34-3)19-7-17-29(18-8-20-45(35-4,36-5)37-6,42(30,38-21-25-9-10-25)39-22-26-11-12-26)43(31,40-23-27-13-14-27)41-24-28-15-16-28/h25-28H,7-24H2,1-6H3.
What are the key properties of [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane?
[4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane has a molecular weight of 716.89 g/mol, XLogP of 7.09, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis[bis(cyclopropylmethoxy)phosphoryl]-7-trimethoxysilylheptyl]-trimethoxysilane is sourced from PubChem (CID 141360578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).