tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane

C27H52O3Si — CID 11328473

IUPACtert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane
SMILESC/C(=C\CCC1(C)OCCO1)CC/C=C(\C)CCC(CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C27H52O3Si/c1-22(2)25(21-30-31(9,10)26(5,6)7)17-16-24(4)14-11-13-23(3)15-12-18-27(8)28-19-20-29-27/h14-15,22,25H,11-13,16-21H2,1-10H3/b23-15+,24-14+
InChIKeyAVEINBVJHDAURB-RCJIYZEVSA-N
MW452.80 g/mol
LogP8.28
Rot. Bonds13

About tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane

tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane (PubChem CID 11328473) has the molecular formula C27H52O3Si and a molecular weight of 452.80 g/mol. Its IUPAC name is tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane
PubChem CID11328473
Molecular FormulaC27H52O3Si
Molecular Weight452.80 g/mol
Exact Mass452.37
IUPAC Nametert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane
SMILESC/C(=C\CCC1(C)OCCO1)CC/C=C(\C)CCC(CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C27H52O3Si/c1-22(2)25(21-30-31(9,10)26(5,6)7)17-16-24(4)14-11-13-23(3)15-12-18-27(8)28-19-20-29-27/h14-15,22,25H,11-13,16-21H2,1-10H3/b23-15+,24-14+
InChIKeyAVEINBVJHDAURB-RCJIYZEVSA-N
XLogP8.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.80
LogP ≤ 58.28
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'}

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Related Compounds

tert-butyl-[(Z)-5-[(4R,5R)-5-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-enoxy]-dimethylsilane
CID 11329154
[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane
CID 45113084
Trimethyl-[4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexen-1-yl]oxysilane
CID 74955942
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-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane
CID 134936781
tert-butyl-[(Z)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10738587
tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
CID 14657946
tert-butyl-[(Z,4S)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58304860
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58304891
tert-butyl-[2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124859
tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 68373432
{1-[(7,9-Dimethyl-1,4-dioxaspiro[4.5]dec-8-ylidene)methyl]cyclopropyl}(trimethyl)silane
CID 117069572

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane (CID 11328473) is tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane is C/C(=C\CCC1(C)OCCO1)CC/C=C(\C)CCC(CO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane?
The InChIKey is AVEINBVJHDAURB-RCJIYZEVSA-N. The full InChI is InChI=1S/C27H52O3Si/c1-22(2)25(21-30-31(9,10)26(5,6)7)17-16-24(4)14-11-13-23(3)15-12-18-27(8)28-19-20-29-27/h14-15,22,25H,11-13,16-21H2,1-10H3/b23-15+,24-14+.
What are the key properties of tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane?
tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane has a molecular weight of 452.80 g/mol, XLogP of 8.28, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5E,9E)-5,9-dimethyl-12-(2-methyl-1,3-dioxolan-2-yl)-2-propan-2-yldodeca-5,9-dienoxy]-dimethylsilane is sourced from PubChem (CID 11328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).