triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane

C24H42O2Si — CID 101030785

IUPACtriethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane
SMILESC=C=COC(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/h16-17,22-24H,1,6,8,12-15,18H2,2-5,7,9-10H3/b21-17+/t22-,23-,24?/m0/s1
InChIKeyCNQOOHVBOQFVMR-XBPWVVAASA-N
MW390.68 g/mol
LogP7.58
Rot. Bonds14

About triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane

triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane (PubChem CID 101030785) 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-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane
PubChem CID101030785
Molecular FormulaC24H42O2Si
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Nametriethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane
SMILESC=C=COC(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/h16-17,22-24H,1,6,8,12-15,18H2,2-5,7,9-10H3/b21-17+/t22-,23-,24?/m0/s1
InChIKeyCNQOOHVBOQFVMR-XBPWVVAASA-N
XLogP7.58
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 ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane?
The IUPAC name of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane (CID 101030785) is triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane is C=C=COC(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-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane?
The InChIKey is CNQOOHVBOQFVMR-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/h16-17,22-24H,1,6,8,12-15,18H2,2-5,7,9-10H3/b21-17+/t22-,23-,24?/m0/s1.
What are the key properties of triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane?
triethyl-[(3S,4E,8S)-4,8,10-trimethyl-6-methylidene-9-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane has a molecular weight of 390.68 g/mol, XLogP of 7.58, 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-propa-1,2-dienoxyundeca-4,10-dien-3-yl]oxysilane is sourced from PubChem (CID 101030785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).