tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

C27H44OSi — CID 56851268

IUPACtert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C27H44OSi/c1-12-14-21(2)15-13-16-22(3)17-18-25-23(4)19-24(20-27(25,8)9)28-29(10,11)26(5,6)7/h12-18,24H,1,19-20H2,2-11H3/b15-13+,18-17+,21-14+,22-16+/t24-/m1/s1
InChIKeyHZCISAYYWNXDRR-QYOMCRCOSA-N
MW412.73 g/mol
LogP8.70
Rot. Bonds7

About tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 56851268) has the molecular formula C27H44OSi and a molecular weight of 412.73 g/mol. Its IUPAC name is tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID56851268
Molecular FormulaC27H44OSi
Molecular Weight412.73 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C27H44OSi/c1-12-14-21(2)15-13-16-22(3)17-18-25-23(4)19-24(20-27(25,8)9)28-29(10,11)26(5,6)7/h12-18,24H,1,19-20H2,2-11H3/b15-13+,18-17+,21-14+,22-16+/t24-/m1/s1
InChIKeyHZCISAYYWNXDRR-QYOMCRCOSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
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CID 5366798
tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
CID 10808070
tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10905468
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-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400085
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
(1R)-4-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 134980794
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (CID 56851268) is tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is HZCISAYYWNXDRR-QYOMCRCOSA-N. The full InChI is InChI=1S/C27H44OSi/c1-12-14-21(2)15-13-16-22(3)17-18-25-23(4)19-24(20-27(25,8)9)28-29(10,11)26(5,6)7/h12-18,24H,1,19-20H2,2-11H3/b15-13+,18-17+,21-14+,22-16+/t24-/m1/s1.
What are the key properties of tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 412.73 g/mol, XLogP of 8.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 56851268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).