tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane

C32H60O3Si — CID 10994930

IUPACtri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane
SMILESC=C(C)[C@H](CC/C(C)=C/CC/C(C)=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C32H60O3Si/c1-23(2)29(22-30-31(11,12)35-32(13,14)34-30)19-18-27(9)16-15-17-28(10)20-21-33-36(24(3)4,25(5)6)26(7)8/h16,20,24-26,29-30H,1,15,17-19,21-22H2,2-14H3/b27-16+,28-20+/t29-,30+/m1/s1
InChIKeyOSHXXYBERWZDGB-VSOCNXJASA-N
MW520.92 g/mol
LogP10.14
Rot. Bonds15

About tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane

tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane (PubChem CID 10994930) has the molecular formula C32H60O3Si and a molecular weight of 520.92 g/mol. Its IUPAC name is tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane
PubChem CID10994930
Molecular FormulaC32H60O3Si
Molecular Weight520.92 g/mol
Exact Mass520.43
IUPAC Nametri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane
SMILESC=C(C)[C@H](CC/C(C)=C/CC/C(C)=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C32H60O3Si/c1-23(2)29(22-30-31(11,12)35-32(13,14)34-30)19-18-27(9)16-15-17-28(10)20-21-33-36(24(3)4,25(5)6)26(7)8/h16,20,24-26,29-30H,1,15,17-19,21-22H2,2-14H3/b27-16+,28-20+/t29-,30+/m1/s1
InChIKeyOSHXXYBERWZDGB-VSOCNXJASA-N
XLogP10.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.92
LogP ≤ 510.14
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 tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane 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

tert-butyl-[(Z,2R)-7-(1,3-dioxolan-2-yl)-4-iodo-1-[(1R)-4-methyl-7-methylidenecyclohept-3-en-1-yl]hept-3-en-2-yl]oxy-dimethylsilane
CID 11027994
tert-butyl-[(Z,2S)-7-(1,3-dioxolan-2-yl)-4-iodo-1-[(1R)-4-methyl-7-methylidenecyclohept-3-en-1-yl]hept-3-en-2-yl]oxy-dimethylsilane
CID 10929649
Trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane
CID 134875099
tert-butyl-[(Z)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10738587
Tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane
CID 10892351
tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
CID 14657946
tert-butyl-[(E)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10619806
tert-butyl-[(2E,6E,10S)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
CID 10692949
tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane
CID 11046144
(E,3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,8-trimethyl-6-methylidenenon-4-en-1-ol
CID 11069954
tert-butyl-[(3E,7Z,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane
CID 11204329
[(1S,2S,4R,5E,7E)-2-(methoxymethoxy)-4,6-dimethyl-1-[(E,5R)-5-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]hex-1-enyl]deca-5,7-dienoxy]-tri(propan-2-yl)silane
CID 11239777

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane (CID 10994930) is tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane is C=C(C)[C@H](CC/C(C)=C/CC/C(C)=C/CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane?
The InChIKey is OSHXXYBERWZDGB-VSOCNXJASA-N. The full InChI is InChI=1S/C32H60O3Si/c1-23(2)29(22-30-31(11,12)35-32(13,14)34-30)19-18-27(9)16-15-17-28(10)20-21-33-36(24(3)4,25(5)6)26(7)8/h16,20,24-26,29-30H,1,15,17-19,21-22H2,2-14H3/b27-16+,28-20+/t29-,30+/m1/s1.
What are the key properties of tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane?
tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane has a molecular weight of 520.92 g/mol, XLogP of 10.14, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane is sourced from PubChem (CID 10994930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).