[2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane

C27H56OSiSn — CID 158318058

IUPAC[2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane
SMILESCCCCC1CCCC1(/C=C/C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-6-8-10-14-11-9-13-15(14,12-7-2)16-17(3,4)5;3*1-3-4-2;/h7,12,14H,2,6,8-11,13H2,1,3-5H3;3*1,3-4H2,2H3;/b12-7+;;;;
InChIKeyGOMXNBWKADUEHH-BLSNBFPRSA-N
MW543.54 g/mol
LogP9.97
Rot. Bonds17

About [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane

[2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane (PubChem CID 158318058) has the molecular formula C27H56OSiSn and a molecular weight of 543.54 g/mol. Its IUPAC name is [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane
PubChem CID158318058
Molecular FormulaC27H56OSiSn
Molecular Weight543.54 g/mol
Exact Mass544.31
IUPAC Name[2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane
SMILESCCCCC1CCCC1(/C=C/C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-6-8-10-14-11-9-13-15(14,12-7-2)16-17(3,4)5;3*1-3-4-2;/h7,12,14H,2,6,8-11,13H2,1,3-5H3;3*1,3-4H2,2H3;/b12-7+;;;;
InChIKeyGOMXNBWKADUEHH-BLSNBFPRSA-N
XLogP9.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.54
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
[(1S,2S)-2-ethenyl-1-methyl-3-propan-2-ylidenecyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020043
[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918223
[(1S,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918229
[(3aS,6aS)-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]oxy-tert-butyl-dimethylsilane
CID 68116091
[(3aS,6aS)-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]oxy-butyl-dimethylsilane
CID 68116172
trimethyl-[(E)-4-prop-1-enyl-1-tributylstannyldec-1-en-4-yl]oxysilane
CID 88766804
Trimethyl-(1-prop-1-enylcyclododecyl)oxysilane
CID 91366752
Trimethyl-(4-prop-1-enyl-1-tributylstannyldec-1-en-4-yl)oxysilane
CID 173443841
[(1S,3aR,4S,8aR)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-yl]oxy-tert-butyl-dimethylsilane
CID 10902498
(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene
CID 11823011
[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane
CID 88770784

Frequently Asked Questions

What is the IUPAC name of [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane?
The IUPAC name of [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane (CID 158318058) is [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane is CCCCC1CCCC1(/C=C/C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C.
What is the InChIKey of [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane?
The InChIKey is GOMXNBWKADUEHH-BLSNBFPRSA-N. The full InChI is InChI=1S/C15H29OSi.3C4H9.Sn/c1-6-8-10-14-11-9-13-15(14,12-7-2)16-17(3,4)5;3*1-3-4-2;/h7,12,14H,2,6,8-11,13H2,1,3-5H3;3*1,3-4H2,2H3;/b12-7+;;;;.
What are the key properties of [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane?
[2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane has a molecular weight of 543.54 g/mol, XLogP of 9.97, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-1-[(E)-3-tributylstannylprop-1-enyl]cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 158318058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).