tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane

C25H42O2Si — CID 14138487

IUPACtert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane
SMILESC/C1=C\CC/C(C)=C/C(O[Si](C)(C)C(C)(C)C)CC#CCOC/C(C)=C/CC1
InChIInChI=1S/C25H42O2Si/c1-21-13-11-15-22(2)19-24(27-28(7,8)25(4,5)6)17-9-10-18-26-20-23(3)16-12-14-21/h13,16,19,24H,11-12,14-15,17-18,20H2,1-8H3/b21-13+,22-19+,23-16+
InChIKeyDUNMRHIKMQCLTR-KZAJZWQFSA-N
MW402.70 g/mol
LogP7.20
Rot. Bonds2

About tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane

tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane (PubChem CID 14138487) has the molecular formula C25H42O2Si and a molecular weight of 402.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane
PubChem CID14138487
Molecular FormulaC25H42O2Si
Molecular Weight402.70 g/mol
Exact Mass402.30
IUPAC Nametert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane
SMILESC/C1=C\CC/C(C)=C/C(O[Si](C)(C)C(C)(C)C)CC#CCOC/C(C)=C/CC1
InChIInChI=1S/C25H42O2Si/c1-21-13-11-15-22(2)19-24(27-28(7,8)25(4,5)6)17-9-10-18-26-20-23(3)16-12-14-21/h13,16,19,24H,11-12,14-15,17-18,20H2,1-8H3/b21-13+,22-19+,23-16+
InChIKeyDUNMRHIKMQCLTR-KZAJZWQFSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.70
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,2S)-4-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-2-methylpent-3-enoxy]-dimethylsilane
CID 16115684
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-ynal
CID 101649917
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143
carbon monoxide;[(2E,6E,10E,12S)-1-methoxy-3,6,10-trimethyl-12-tri(propan-2-yl)silyloxytetradeca-2,6,10-trien-13-ynylidene]chromium
CID 134940523
[(2E,9E)-4-methoxy-10,14-dimethylpentadeca-2,9,13-trien-5-yn-2-yl]oxy-trimethylsilane
CID 10760182
tert-butyl-dimethyl-[(1R)-2-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxysilane
CID 10882321
tert-butyl-[(2E,6E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 11151375
tert-butyl-[(2E,6E,10E,14E)-9-methoxy-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-dimethylsilane
CID 11420696
tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane
CID 11507488
tert-butyl-[(2E,6E)-3,7-dimethyl-8-prop-2-ynoxyocta-2,6-dienoxy]-dimethylsilane
CID 13820175

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane (CID 14138487) is tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane is C/C1=C\CC/C(C)=C/C(O[Si](C)(C)C(C)(C)C)CC#CCOC/C(C)=C/CC1.
What is the InChIKey of tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane?
The InChIKey is DUNMRHIKMQCLTR-KZAJZWQFSA-N. The full InChI is InChI=1S/C25H42O2Si/c1-21-13-11-15-22(2)19-24(27-28(7,8)25(4,5)6)17-9-10-18-26-20-23(3)16-12-14-21/h13,16,19,24H,11-12,14-15,17-18,20H2,1-8H3/b21-13+,22-19+,23-16+.
What are the key properties of tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane?
tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane has a molecular weight of 402.70 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane is sourced from PubChem (CID 14138487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).