[7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane

C33H68O3Si — CID 176590028

IUPAC[7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane
SMILESCC(C)=CCCC(C)CCOC(C)(C)CCCC(C)CCOC(C)(C)CCCC(C)CCO[Si](C)(C)C
InChIInChI=1S/C33H68O3Si/c1-28(2)16-13-17-29(3)20-25-34-32(6,7)23-14-18-30(4)21-26-35-33(8,9)24-15-19-31(5)22-27-36-37(10,11)12/h16,29-31H,13-15,17-27H2,1-12H3
InChIKeyVVDUURNRXSVMEW-UHFFFAOYSA-N
MW540.99 g/mol
LogP10.59
Rot. Bonds23

About [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane

[7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane (PubChem CID 176590028) has the molecular formula C33H68O3Si and a molecular weight of 540.99 g/mol. Its IUPAC name is [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane.

Molecular Properties

Compound Name[7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane
PubChem CID176590028
Molecular FormulaC33H68O3Si
Molecular Weight540.99 g/mol
Exact Mass540.49
IUPAC Name[7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane
SMILESCC(C)=CCCC(C)CCOC(C)(C)CCCC(C)CCOC(C)(C)CCCC(C)CCO[Si](C)(C)C
InChIInChI=1S/C33H68O3Si/c1-28(2)16-13-17-29(3)20-25-34-32(6,7)23-14-18-30(4)21-26-35-33(8,9)24-15-19-31(5)22-27-36-37(10,11)12/h16,29-31H,13-15,17-27H2,1-12H3
InChIKeyVVDUURNRXSVMEW-UHFFFAOYSA-N
XLogP10.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.99
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E,16Z)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,16-diene
CID 445467
(E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-14-ene
CID 448468
(E,6R)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-14-ene
CID 5326528
(6Z,10E,14E,19Z,23E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,19,23-hexaene
CID 5326733
(6E,12E,16E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,12,16-triene
CID 73437596
31-Methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-2-ene
CID 163410346
tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
CID 102374991
trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane
CID 135041015
[(3R)-3-(3-butoxyprop-1-en-2-yl)-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427856
[(3R)-2-butyl-3-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427870
Trimethyl-(2-(4-methyl-1-cyclohex-3-enyl)-1-trimethylsilyloxy-propan-2-yl)oxysilane
CID 187239
tert-butyl-dimethyl-[3-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yl]oxysilane
CID 18636596

Frequently Asked Questions

What is the IUPAC name of [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane?
The IUPAC name of [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane (CID 176590028) is [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane.
What is the SMILES notation for [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane?
The canonical SMILES for [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane is CC(C)=CCCC(C)CCOC(C)(C)CCCC(C)CCOC(C)(C)CCCC(C)CCO[Si](C)(C)C.
What is the InChIKey of [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane?
The InChIKey is VVDUURNRXSVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O3Si/c1-28(2)16-13-17-29(3)20-25-34-32(6,7)23-14-18-30(4)21-26-35-33(8,9)24-15-19-31(5)22-27-36-37(10,11)12/h16,29-31H,13-15,17-27H2,1-12H3.
What are the key properties of [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane?
[7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane has a molecular weight of 540.99 g/mol, XLogP of 10.59, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[7-(3,7-dimethyloct-6-enoxy)-3,7-dimethyloctoxy]-3,7-dimethyloctoxy]-trimethylsilane is sourced from PubChem (CID 176590028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).