trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane

C30H66O3Si3 — CID 10626653

IUPACtrimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane
SMILESC/C=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C30H66O3Si3/c1-18-19-23(4)29(32-35(12,13)14)25(6)21-27(8)30(33-36(15,16)17)26(7)20-24(5)28(22(2)3)31-34(9,10)11/h18-19,22-30H,20-21H2,1-17H3/b19-18+/t23-,24-,25-,26-,27-,28-,29+,30-/m1/s1
InChIKeyRPHAGIJLZXIHFQ-GXFQZFLGSA-N
MW559.11 g/mol
LogP9.84
Rot. Bonds17

About trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane

trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane (PubChem CID 10626653) has the molecular formula C30H66O3Si3 and a molecular weight of 559.11 g/mol. Its IUPAC name is trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane
PubChem CID10626653
Molecular FormulaC30H66O3Si3
Molecular Weight559.11 g/mol
Exact Mass558.43
IUPAC Nametrimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane
SMILESC/C=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C30H66O3Si3/c1-18-19-23(4)29(32-35(12,13)14)25(6)21-27(8)30(33-36(15,16)17)26(7)20-24(5)28(22(2)3)31-34(9,10)11/h18-19,22-30H,20-21H2,1-17H3/b19-18+/t23-,24-,25-,26-,27-,28-,29+,30-/m1/s1
InChIKeyRPHAGIJLZXIHFQ-GXFQZFLGSA-N
XLogP9.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.11
LogP ≤ 59.84
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 trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]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

7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
CID 25258171
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 134887179
triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
CID 134940845
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
trimethyl-[(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexyl]oxysilane
CID 135067882

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane?
The IUPAC name of trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane (CID 10626653) is trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane.
What is the SMILES notation for trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane?
The canonical SMILES for trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane is C/C=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C)[C@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C)C(C)C.
What is the InChIKey of trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane?
The InChIKey is RPHAGIJLZXIHFQ-GXFQZFLGSA-N. The full InChI is InChI=1S/C30H66O3Si3/c1-18-19-23(4)29(32-35(12,13)14)25(6)21-27(8)30(33-36(15,16)17)26(7)20-24(5)28(22(2)3)31-34(9,10)11/h18-19,22-30H,20-21H2,1-17H3/b19-18+/t23-,24-,25-,26-,27-,28-,29+,30-/m1/s1.
What are the key properties of trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane?
trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane has a molecular weight of 559.11 g/mol, XLogP of 9.84, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1R,2R,4R,5R,6R,8R,9R)-2,4,6,8,10-pentamethyl-1-[(E,2R)-pent-3-en-2-yl]-5,9-bis(trimethylsilyloxy)undecoxy]silane is sourced from PubChem (CID 10626653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).