tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane

C22H42O3Si — CID 91589611

IUPACtert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
SMILESCO[C@H]1C=CCCCCCOCC(C)=C[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si/c1-18-16-19(2)21(25-26(7,8)22(3,4)5)20(23-6)14-12-10-9-11-13-15-24-17-18/h12,14,16,19-21H,9-11,13,15,17H2,1-8H3/t19-,20+,21+/m1/s1
InChIKeyVKZOPYMCOYJHFI-HKBOAZHASA-N
MW382.66 g/mol
LogP6.12
Rot. Bonds3

About tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane

tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane (PubChem CID 91589611) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
PubChem CID91589611
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Nametert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
SMILESCO[C@H]1C=CCCCCCOCC(C)=C[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si/c1-18-16-19(2)21(25-26(7,8)22(3,4)5)20(23-6)14-12-10-9-11-13-15-24-17-18/h12,14,16,19-21H,9-11,13,15,17H2,1-8H3/t19-,20+,21+/m1/s1
InChIKeyVKZOPYMCOYJHFI-HKBOAZHASA-N
XLogP6.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.12
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-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(3S,4S,5R,6Z)-8-(2,2-difluorohept-6-enoxy)-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 89395602
tert-butyl-[(Z,2S,3S,4R)-2-methoxy-4,6-dimethyl-7-[(2Z)-3-(trifluoromethyl)hepta-2,6-dienoxy]hept-5-en-3-yl]oxy-dimethylsilane
CID 89935611
tert-butyl-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 89935614
tert-butyl-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 89945946
tert-butyl-[(3S,4S,5R,6Z)-3-methoxy-5,7-dimethyl-8-[(2Z)-3-(trifluoromethyl)hepta-2,6-dienoxy]octa-1,6-dien-4-yl]oxy-dimethylsilane
CID 140708869
tert-butyl-[[(3Z,5R,7S,8E,12E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 173664888
[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 11794966
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[[(2S,5S)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630664
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 134887512

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane (CID 91589611) is tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane is CO[C@H]1C=CCCCCCOCC(C)=C[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
The InChIKey is VKZOPYMCOYJHFI-HKBOAZHASA-N. The full InChI is InChI=1S/C22H42O3Si/c1-18-16-19(2)21(25-26(7,8)22(3,4)5)20(23-6)14-12-10-9-11-13-15-24-17-18/h12,14,16,19-21H,9-11,13,15,17H2,1-8H3/t19-,20+,21+/m1/s1.
What are the key properties of tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane?
tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane has a molecular weight of 382.66 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane is sourced from PubChem (CID 91589611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).