[2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane

C34H74O2Si3 — CID 20725082

IUPAC[2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane
SMILESCCC/C=[Si](\C)OCC(CCCC)CCCCCCCCCCC(C(CCCC)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H74O2Si3/c1-11-14-25-32(30-35-37(4)29-16-13-3)26-23-21-19-17-18-20-22-24-28-34(38(5,6)7)33(27-15-12-2)31-36-39(8,9)10/h29,32-34H,11-28,30-31H2,1-10H3/b37-29+
InChIKeyCZZVRBJATDZMLQ-SMTCOIIISA-N
MW599.22 g/mol
LogP11.88
Rot. Bonds27

About [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane

[2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane (PubChem CID 20725082) has the molecular formula C34H74O2Si3 and a molecular weight of 599.22 g/mol. Its IUPAC name is [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane
PubChem CID20725082
Molecular FormulaC34H74O2Si3
Molecular Weight599.22 g/mol
Exact Mass598.50
IUPAC Name[2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane
SMILESCCC/C=[Si](\C)OCC(CCCC)CCCCCCCCCCC(C(CCCC)CO[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H74O2Si3/c1-11-14-25-32(30-35-37(4)29-16-13-3)26-23-21-19-17-18-20-22-24-28-34(38(5,6)7)33(27-15-12-2)31-36-39(8,9)10/h29,32-34H,11-28,30-31H2,1-10H3/b37-29+
InChIKeyCZZVRBJATDZMLQ-SMTCOIIISA-N
XLogP11.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.22
LogP ≤ 511.88
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'}

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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
Tert-butyl-(cyclooctylmethoxy)-dimethylsilane
CID 70178639
Octa-decyltrimethoxysilane
CID 129773342
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, methylvinyldi(3,7-dimethyloctyloxy)-
CID 91698190
Silane, methylvinyl(3,7-dimethyloctyloxy)isobutoxy-
CID 91698410
Silane, methylvinyl(3,7-dimethyloctyloxy)butoxy-
CID 91698411
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695

Frequently Asked Questions

What is the IUPAC name of [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane?
The IUPAC name of [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane (CID 20725082) is [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane.
What is the SMILES notation for [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane?
The canonical SMILES for [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane is CCC/C=[Si](\C)OCC(CCCC)CCCCCCCCCCC(C(CCCC)CO[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane?
The InChIKey is CZZVRBJATDZMLQ-SMTCOIIISA-N. The full InChI is InChI=1S/C34H74O2Si3/c1-11-14-25-32(30-35-37(4)29-16-13-3)26-23-21-19-17-18-20-22-24-28-34(38(5,6)7)33(27-15-12-2)31-36-39(8,9)10/h29,32-34H,11-28,30-31H2,1-10H3/b37-29+.
What are the key properties of [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane?
[2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane has a molecular weight of 599.22 g/mol, XLogP of 11.88, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-14-[[(E)-butylidene(methyl)silyl]oxymethyl]-3-trimethylsilyloctadecoxy]-trimethylsilane is sourced from PubChem (CID 20725082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).