[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane

C24H48O2Si3 — CID 134865464

IUPAC[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O2Si3/c1-23(2,3)28(10,11)25-20-16-14-18-22(19-15-17-21-27(7,8)9)26-29(12,13)24(4,5)6/h14-16,19,22H,18,20H2,1-13H3/b16-14+,19-15?/t22-/m0/s1
InChIKeyKHHDLAVOHOWKNY-CRLMHTEISA-N
MW452.90 g/mol
LogP7.78
Rot. Bonds8

About [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane

[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane (PubChem CID 134865464) has the molecular formula C24H48O2Si3 and a molecular weight of 452.90 g/mol. Its IUPAC name is [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
PubChem CID134865464
Molecular FormulaC24H48O2Si3
Molecular Weight452.90 g/mol
Exact Mass452.30
IUPAC Name[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O2Si3/c1-23(2,3)28(10,11)25-20-16-14-18-22(19-15-17-21-27(7,8)9)26-29(12,13)24(4,5)6/h14-16,19,22H,18,20H2,1-13H3/b16-14+,19-15?/t22-/m0/s1
InChIKeyKHHDLAVOHOWKNY-CRLMHTEISA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.90
LogP ≤ 57.78
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

1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
CID 91696575
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Tributylsilyloxyoct-3-ene
CID 5353200
[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane
CID 11731540
tert-butyl-dimethyl-[(Z)-3-tributylstannyl-5-trimethylsilylpent-3-en-2-yl]oxysilane
CID 14006078
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
CID 14918716
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090

Frequently Asked Questions

What is the IUPAC name of [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane (CID 134865464) is [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane?
The InChIKey is KHHDLAVOHOWKNY-CRLMHTEISA-N. The full InChI is InChI=1S/C24H48O2Si3/c1-23(2,3)28(10,11)25-20-16-14-18-22(19-15-17-21-27(7,8)9)26-29(12,13)24(4,5)6/h14-16,19,22H,18,20H2,1-13H3/b16-14+,19-15?/t22-/m0/s1.
What are the key properties of [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane?
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane has a molecular weight of 452.90 g/mol, XLogP of 7.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 134865464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).