buta-1,3-dienyl(tricyclopentyloxy)silane

C19H32O3Si — CID 141377464

IUPACbuta-1,3-dienyl(tricyclopentyloxy)silane
SMILESC=CC=C[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C19H32O3Si/c1-2-3-16-23(20-17-10-4-5-11-17,21-18-12-6-7-13-18)22-19-14-8-9-15-19/h2-3,16-19H,1,4-15H2
InChIKeyQBUQIBZPSBTJEC-UHFFFAOYSA-N
MW336.55 g/mol
LogP5.08
Rot. Bonds8

About buta-1,3-dienyl(tricyclopentyloxy)silane

buta-1,3-dienyl(tricyclopentyloxy)silane (PubChem CID 141377464) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is buta-1,3-dienyl(tricyclopentyloxy)silane.

Molecular Properties

Compound Namebuta-1,3-dienyl(tricyclopentyloxy)silane
PubChem CID141377464
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Namebuta-1,3-dienyl(tricyclopentyloxy)silane
SMILESC=CC=C[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C19H32O3Si/c1-2-3-16-23(20-17-10-4-5-11-17,21-18-12-6-7-13-18)22-19-14-8-9-15-19/h2-3,16-19H,1,4-15H2
InChIKeyQBUQIBZPSBTJEC-UHFFFAOYSA-N
XLogP5.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-cyclohexyloxy-ethenylsilane
CID 142301961
[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane
CID 89174418
chloro-cyclohexyloxy-bis(prop-2-enoxy)silane
CID 121010910
cyclopentyloxy(trimethyl)silane
CID 554693
[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
CID 89174398
cyclopentyloxy-tris(trimethylsilyl)silane
CID 14640291
cyclooctyloxy(tricyclopentyl)silane
CID 142301939
cyclooctyl(tricyclopentyloxy)silane
CID 142301901
di(cyclooctyl)-dicyclopentyloxysilane
CID 142301960
trichloro cyclohexyl silicate
CID 174839833
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970
3-chloropropyl(tricyclopentyloxy)silane
CID 141447825

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienyl(tricyclopentyloxy)silane?
The IUPAC name of buta-1,3-dienyl(tricyclopentyloxy)silane (CID 141377464) is buta-1,3-dienyl(tricyclopentyloxy)silane.
What is the SMILES notation for buta-1,3-dienyl(tricyclopentyloxy)silane?
The canonical SMILES for buta-1,3-dienyl(tricyclopentyloxy)silane is C=CC=C[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of buta-1,3-dienyl(tricyclopentyloxy)silane?
The InChIKey is QBUQIBZPSBTJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-2-3-16-23(20-17-10-4-5-11-17,21-18-12-6-7-13-18)22-19-14-8-9-15-19/h2-3,16-19H,1,4-15H2.
What are the key properties of buta-1,3-dienyl(tricyclopentyloxy)silane?
buta-1,3-dienyl(tricyclopentyloxy)silane has a molecular weight of 336.55 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienyl(tricyclopentyloxy)silane is sourced from PubChem (CID 141377464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).