triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane

C24H42O2Si — CID 101030790

IUPACtriethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane
SMILESC#CCOC(C(=C)C)[C@@H](C)CC(=C)/C=C(\C)[C@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C24H42O2Si/c1-11-16-25-24(19(6)7)22(10)18-20(8)17-21(9)23(12-2)26-27(13-3,14-4)15-5/h1,17,22-24H,6,8,12-16,18H2,2-5,7,9-10H3/b21-17+/t22-,23-,24?/m0/s1
InChIKeyMPMJGPXHNQWZHN-XBPWVVAASA-N
MW390.68 g/mol
LogP6.91
Rot. Bonds14

About triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane

triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane (PubChem CID 101030790) has the molecular formula C24H42O2Si and a molecular weight of 390.68 g/mol. Its IUPAC name is triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane
PubChem CID101030790
Molecular FormulaC24H42O2Si
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Nametriethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane
SMILESC#CCOC(C(=C)C)[C@@H](C)CC(=C)/C=C(\C)[C@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C24H42O2Si/c1-11-16-25-24(19(6)7)22(10)18-20(8)17-21(9)23(12-2)26-27(13-3,14-4)15-5/h1,17,22-24H,6,8,12-16,18H2,2-5,7,9-10H3/b21-17+/t22-,23-,24?/m0/s1
InChIKeyMPMJGPXHNQWZHN-XBPWVVAASA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 56.91
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(1R,2S)-1-ethynyl-4-methyl-2-prop-2-enoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16127490
tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane
CID 16757120
tert-butyl-[(2S,3E,5E,7S,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethylundeca-3,5,10-trienoxy]-dimethylsilane
CID 56642712
CID 102323674
CID 102323674
tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane
CID 135017274
2-[1-(2-Ethylhexoxy)-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane
CID 68656412
tert-butyl-[[(1S,2R)-4-ethenyl-3-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 21771052
tert-butyl-[[(1R,2R)-4-ethenyl-3-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 21771053
triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane
CID 101030785
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-3-yl]methyl-trimethylsilane
CID 101516446
tert-butyl-[[(1R,2S)-1-ethenyl-4-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 101790117
tert-butyl-[[(1S,2S)-1-ethenyl-4-methyl-2-prop-2-ynoxycyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 101790125

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane?
The IUPAC name of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane (CID 101030790) is triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane is C#CCOC(C(=C)C)[C@@H](C)CC(=C)/C=C(\C)[C@H](CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane?
The InChIKey is MPMJGPXHNQWZHN-XBPWVVAASA-N. The full InChI is InChI=1S/C24H42O2Si/c1-11-16-25-24(19(6)7)22(10)18-20(8)17-21(9)23(12-2)26-27(13-3,14-4)15-5/h1,17,22-24H,6,8,12-16,18H2,2-5,7,9-10H3/b21-17+/t22-,23-,24?/m0/s1.
What are the key properties of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane?
triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane has a molecular weight of 390.68 g/mol, XLogP of 6.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-prop-2-ynoxyundeca-4,10-dien-3-yl]oxysilane is sourced from PubChem (CID 101030790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).