bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane

C17H37O7PSi — CID 161334100

IUPACbis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane
SMILESC.C/C=C\CCC.CCOP(=O)(C[Si](C)(C)C)OCC.O=C=O.O=C=O
InChIInChI=1S/C8H21O3PSi.C6H12.2CO2.CH4/c1-6-10-12(9,11-7-2)8-13(3,4)5;1-3-5-6-4-2;2*2-1-3;/h6-8H2,1-5H3;3,5H,4,6H2,1-2H3;;;1H4/b;5-3-;;;
InChIKeyVLUMQANNAUIQDW-MCKPWBHKSA-N
MW412.54 g/mol
LogP4.96
Rot. Bonds8

About bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane

bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane (PubChem CID 161334100) has the molecular formula C17H37O7PSi and a molecular weight of 412.54 g/mol. Its IUPAC name is bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane.

Molecular Properties

Compound Namebis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane
PubChem CID161334100
Molecular FormulaC17H37O7PSi
Molecular Weight412.54 g/mol
Exact Mass412.20
IUPAC Namebis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane
SMILESC.C/C=C\CCC.CCOP(=O)(C[Si](C)(C)C)OCC.O=C=O.O=C=O
InChIInChI=1S/C8H21O3PSi.C6H12.2CO2.CH4/c1-6-10-12(9,11-7-2)8-13(3,4)5;1-3-5-6-4-2;2*2-1-3;/h6-8H2,1-5H3;3,5H,4,6H2,1-2H3;;;1H4/b;5-3-;;;
InChIKeyVLUMQANNAUIQDW-MCKPWBHKSA-N
XLogP4.96
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane?
The IUPAC name of bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane (CID 161334100) is bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane.
What is the SMILES notation for bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane?
The canonical SMILES for bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane is C.C/C=C\CCC.CCOP(=O)(C[Si](C)(C)C)OCC.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane?
The InChIKey is VLUMQANNAUIQDW-MCKPWBHKSA-N. The full InChI is InChI=1S/C8H21O3PSi.C6H12.2CO2.CH4/c1-6-10-12(9,11-7-2)8-13(3,4)5;1-3-5-6-4-2;2*2-1-3;/h6-8H2,1-5H3;3,5H,4,6H2,1-2H3;;;1H4/b;5-3-;;;.
What are the key properties of bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane?
bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane has a molecular weight of 412.54 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);diethoxyphosphorylmethyl(trimethyl)silane;(Z)-hex-2-ene;methane is sourced from PubChem (CID 161334100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).