triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane

C18H36O2Si — CID 10591245

IUPACtriethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane
SMILESC=C(CC(/C=C/CCC)O[Si](CC)(CC)CC)OC(C)C
InChIInChI=1S/C18H36O2Si/c1-8-12-13-14-18(15-17(7)19-16(5)6)20-21(9-2,10-3)11-4/h13-14,16,18H,7-12,15H2,1-6H3/b14-13+
InChIKeyMKESZQPXNRWJMQ-BUHFOSPRSA-N
MW312.57 g/mol
LogP6.06
Rot. Bonds12

About triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane

triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane (PubChem CID 10591245) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane
PubChem CID10591245
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametriethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane
SMILESC=C(CC(/C=C/CCC)O[Si](CC)(CC)CC)OC(C)C
InChIInChI=1S/C18H36O2Si/c1-8-12-13-14-18(15-17(7)19-16(5)6)20-21(9-2,10-3)11-4/h13-14,16,18H,7-12,15H2,1-6H3/b14-13+
InChIKeyMKESZQPXNRWJMQ-BUHFOSPRSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.06
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'}

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Related Compounds

2-(2,5-Dihydrofuran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 10540004
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane
CID 135020839
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-hex-1-en-3-yloxy-di(propan-2-yl)silane
CID 135079640
1,5-cis,8-cis-Undecatriene-3,7-diol bis(trimethylsilyl)ether
CID 5366568
triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane
CID 23331460
triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane
CID 163558339
Triethyl(1-tributylstannylnona-1,5-dien-4-yloxy)silane
CID 173440822
tert-butyl-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 173852773
tert-butyl-[(2Z,7E)-8-methoxy-1-trimethylsilylocta-2,7-dien-4-yl]oxy-dimethylsilane
CID 10593443
triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane
CID 10615050
triethyl-[(Z,2S)-2-prop-1-en-2-yloxyhept-3-enoxy]silane
CID 10660762

Frequently Asked Questions

What is the IUPAC name of triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane (CID 10591245) is triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane is C=C(CC(/C=C/CCC)O[Si](CC)(CC)CC)OC(C)C.
What is the InChIKey of triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane?
The InChIKey is MKESZQPXNRWJMQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-12-13-14-18(15-17(7)19-16(5)6)20-21(9-2,10-3)11-4/h13-14,16,18H,7-12,15H2,1-6H3/b14-13+.
What are the key properties of triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane?
triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane has a molecular weight of 312.57 g/mol, XLogP of 6.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane is sourced from PubChem (CID 10591245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).