tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane

C20H38O3Si — CID 153307547

IUPACtributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane
SMILESCCCCO[Si](OCCCC)(OCCCC)/C1=C/C=C\CCCC1
InChIInChI=1S/C20H38O3Si/c1-4-7-17-21-24(22-18-8-5-2,23-19-9-6-3)20-15-13-11-10-12-14-16-20/h11,13,15H,4-10,12,14,16-19H2,1-3H3/b13-11-,20-15+
InChIKeyPGPPQTIEAJZRKM-KVWUQHRGSA-N
MW354.61 g/mol
LogP5.97
Rot. Bonds13

About tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane

tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane (PubChem CID 153307547) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane.

Molecular Properties

Compound Nametributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane
PubChem CID153307547
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nametributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane
SMILESCCCCO[Si](OCCCC)(OCCCC)/C1=C/C=C\CCCC1
InChIInChI=1S/C20H38O3Si/c1-4-7-17-21-24(22-18-8-5-2,23-19-9-6-3)20-15-13-11-10-12-14-16-20/h11,13,15H,4-10,12,14,16-19H2,1-3H3/b13-11-,20-15+
InChIKeyPGPPQTIEAJZRKM-KVWUQHRGSA-N
XLogP5.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane
CID 153307550
di(cyclohexen-1-yl)-dipropoxysilane
CID 66598945
cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane
CID 69215916
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene
CID 66889881
cyclohexen-1-yl-diethoxy-methylsilane
CID 13225409
1-methylcyclodeca-1,3-diene
CID 123810679
dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane
CID 90312709
1-butylperoxycyclohexene
CID 150169078
tributoxy-(2,3,4-triiodophenyl)silane
CID 153491475
1-but-2-enylcycloocta-1,3-diene;ruthenium
CID 173229363
tributyl pentyl silicate
CID 524737

Frequently Asked Questions

What is the IUPAC name of tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane?
The IUPAC name of tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane (CID 153307547) is tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane.
What is the SMILES notation for tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane?
The canonical SMILES for tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane is CCCCO[Si](OCCCC)(OCCCC)/C1=C/C=C\CCCC1.
What is the InChIKey of tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane?
The InChIKey is PGPPQTIEAJZRKM-KVWUQHRGSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-4-7-17-21-24(22-18-8-5-2,23-19-9-6-3)20-15-13-11-10-12-14-16-20/h11,13,15H,4-10,12,14,16-19H2,1-3H3/b13-11-,20-15+.
What are the key properties of tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane?
tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane has a molecular weight of 354.61 g/mol, XLogP of 5.97, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy-[(1E,3Z)-cycloocta-1,3-dien-1-yl]silane is sourced from PubChem (CID 153307547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).