[dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane

C33H70O3Si2 — CID 91744774

IUPAC[dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C33H70O3Si2/c1-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-38(5,6)36-37(3,4)34-32-30-28-26-24-16-14-12-10-8-2/h28,30H,7-27,29,31-33H2,1-6H3/b30-28+
InChIKeyISIWVDIECWHZQL-SJCQXOIGSA-N
MW571.09 g/mol
LogP12.01
Rot. Bonds30

About [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane

[dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane (PubChem CID 91744774) has the molecular formula C33H70O3Si2 and a molecular weight of 571.09 g/mol. Its IUPAC name is [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Name[dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane
PubChem CID91744774
Molecular FormulaC33H70O3Si2
Molecular Weight571.09 g/mol
Exact Mass570.49
IUPAC Name[dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C33H70O3Si2/c1-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-38(5,6)36-37(3,4)34-32-30-28-26-24-16-14-12-10-8-2/h28,30H,7-27,29,31-33H2,1-6H3/b30-28+
InChIKeyISIWVDIECWHZQL-SJCQXOIGSA-N
XLogP12.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.09
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
Tetrakis(octadec-9-enyl) silicate
CID 90724700
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)decyloxy-
CID 91694499
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
Silane, dimethyl(dec-4-enyloxy)octyloxy-
CID 91694589
Silane, dimethyl(dec-4-enyloxy)nonyloxy-
CID 91694590

Frequently Asked Questions

What is the IUPAC name of [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane?
The IUPAC name of [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane (CID 91744774) is [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane?
The canonical SMILES for [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](C)(C)O[Si](C)(C)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane?
The InChIKey is ISIWVDIECWHZQL-SJCQXOIGSA-N. The full InChI is InChI=1S/C33H70O3Si2/c1-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-38(5,6)36-37(3,4)34-32-30-28-26-24-16-14-12-10-8-2/h28,30H,7-27,29,31-33H2,1-6H3/b30-28+.
What are the key properties of [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane?
[dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane has a molecular weight of 571.09 g/mol, XLogP of 12.01, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(octadecoxy)silyl]oxy-dimethyl-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 91744774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).