4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane

C28H56OSi — CID 123806799

IUPAC4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane
SMILESCC(C)=CCC(C)(C)CC(C)=CCC(C)(C)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H56OSi/c1-22(2)15-18-28(12,13)21-26(9)16-19-27(10,11)17-14-20-29-30(23(3)4,24(5)6)25(7)8/h15-16,23-25H,14,17-21H2,1-13H3
InChIKeyJTWPWXSZHWYAAS-UHFFFAOYSA-N
MW436.84 g/mol
LogP10.09
Rot. Bonds14

About 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane

4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane (PubChem CID 123806799) has the molecular formula C28H56OSi and a molecular weight of 436.84 g/mol. Its IUPAC name is 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane
PubChem CID123806799
Molecular FormulaC28H56OSi
Molecular Weight436.84 g/mol
Exact Mass436.41
IUPAC Name4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane
SMILESCC(C)=CCC(C)(C)CC(C)=CCC(C)(C)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H56OSi/c1-22(2)15-18-28(12,13)21-26(9)16-19-27(10,11)17-14-20-29-30(23(3)4,24(5)6)25(7)8/h15-16,23-25H,14,17-21H2,1-13H3
InChIKeyJTWPWXSZHWYAAS-UHFFFAOYSA-N
XLogP10.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.84
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Silane, [(3,7-dimethyl-6-octenyl)oxy]trimethyl-
CID 557338
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
CID 134963593
tert-butyl-[[(3E,4E)-3-butylidene-4-ethylidenecyclopentyl]methoxy]-dimethylsilane
CID 134983389
tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane
CID 138966359
Tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
CID 138974292

Frequently Asked Questions

What is the IUPAC name of 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane?
The IUPAC name of 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane (CID 123806799) is 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane?
The canonical SMILES for 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane is CC(C)=CCC(C)(C)CC(C)=CCC(C)(C)CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane?
The InChIKey is JTWPWXSZHWYAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56OSi/c1-22(2)15-18-28(12,13)21-26(9)16-19-27(10,11)17-14-20-29-30(23(3)4,24(5)6)25(7)8/h15-16,23-25H,14,17-21H2,1-13H3.
What are the key properties of 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane?
4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane has a molecular weight of 436.84 g/mol, XLogP of 10.09, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,9,9,12-hexamethyltrideca-6,11-dienoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 123806799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).