triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane

C11H22OSn — CID 6050562

IUPACtriethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane
SMILESCC[Sn](/C=C/C=C/OC)(CC)CC
InChIInChI=1S/C5H7O.3C2H5.Sn/c1-3-4-5-6-2;3*1-2;/h1,3-5H,2H3;3*1H2,2H3;/b3-1?,5-4+;;;;
InChIKeyNIPDMDGBUMPDID-JPPHFFHZSA-N
MW289.01 g/mol
LogP3.75
Rot. Bonds6

About triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane

triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane (PubChem CID 6050562) has the molecular formula C11H22OSn and a molecular weight of 289.01 g/mol. Its IUPAC name is triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane.

Molecular Properties

Compound Nametriethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane
PubChem CID6050562
Molecular FormulaC11H22OSn
Molecular Weight289.01 g/mol
Exact Mass290.07
IUPAC Nametriethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane
SMILESCC[Sn](/C=C/C=C/OC)(CC)CC
InChIInChI=1S/C5H7O.3C2H5.Sn/c1-3-4-5-6-2;3*1-2;/h1,3-5H,2H3;3*1H2,2H3;/b3-1?,5-4+;;;;
InChIKeyNIPDMDGBUMPDID-JPPHFFHZSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.01
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-triethylstannylprop-2-enal
CID 177415887
1,8-dimethoxyocta-1,3,5,7-tetraene
CID 163444931
triethyl-[(E)-prop-1-enyl]stannane
CID 12719085
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
(Z)-1-methoxybut-1-ene
CID 5366227
(2E,4E)-5-methoxypenta-2,4-dienal
CID 15344962
[(1E,3E)-4-methoxybuta-1,3-dienyl]-trimethylsilane
CID 102586948
ethane;(1Z)-1-methoxybuta-1,3-diene
CID 143380385
(1E,3Z)-4-ethyl-1-methoxyhexa-1,3,5-triene
CID 143348268
5-methoxypenta-2,4-dienoic acid
CID 54531073

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane?
The IUPAC name of triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane (CID 6050562) is triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane.
What is the SMILES notation for triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane?
The canonical SMILES for triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane is CC[Sn](/C=C/C=C/OC)(CC)CC.
What is the InChIKey of triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane?
The InChIKey is NIPDMDGBUMPDID-JPPHFFHZSA-N. The full InChI is InChI=1S/C5H7O.3C2H5.Sn/c1-3-4-5-6-2;3*1-2;/h1,3-5H,2H3;3*1H2,2H3;/b3-1?,5-4+;;;;.
What are the key properties of triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane?
triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane has a molecular weight of 289.01 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1E,3E)-4-methoxybuta-1,3-dienyl]stannane is sourced from PubChem (CID 6050562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).