4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane

C22H46O2Si2 — CID 19863872

IUPAC4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](C)(C)CCCC[Si](C)(C)CCCOCC(=C)C
InChIInChI=1S/C22H46O2Si2/c1-21(2)19-23-13-11-17-25(5,6)15-9-10-16-26(7,8)18-12-14-24-20-22(3)4/h1,3,9-20H2,2,4-8H3
InChIKeyHCPPOTPRRWGMKF-UHFFFAOYSA-N
MW398.78 g/mol
LogP7.15
Rot. Bonds17

About 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane

4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 19863872) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Name4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane
PubChem CID19863872
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COCCC[Si](C)(C)CCCC[Si](C)(C)CCCOCC(=C)C
InChIInChI=1S/C22H46O2Si2/c1-21(2)19-23-13-11-17-25(5,6)15-9-10-16-26(7,8)18-12-14-24-20-22(3)4/h1,3,9-20H2,2,4-8H3
InChIKeyHCPPOTPRRWGMKF-UHFFFAOYSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane (CID 19863872) is 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COCCC[Si](C)(C)CCCC[Si](C)(C)CCCOCC(=C)C.
What is the InChIKey of 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is HCPPOTPRRWGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-21(2)19-23-13-11-17-25(5,6)15-9-10-16-26(7,8)18-12-14-24-20-22(3)4/h1,3,9-20H2,2,4-8H3.
What are the key properties of 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane?
4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 398.78 g/mol, XLogP of 7.15, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-[3-(2-methylprop-2-enoxy)propyl]silyl]butyl-dimethyl-[3-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 19863872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).