(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal

C27H46O2Sn — CID 15189674

IUPAC(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal
SMILESCCCC[Sn](C/C=C/CCC(CC=O)OCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C15H19O2.3C4H9.Sn/c1-2-3-5-10-15(11-12-16)17-13-14-8-6-4-7-9-14;3*1-3-4-2;/h2-4,6-9,12,15H,1,5,10-11,13H2;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyBQPWPVQMILIGET-KHLYBYSVSA-N
MW521.37 g/mol
LogP8.35
Rot. Bonds19

About (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal

(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal (PubChem CID 15189674) has the molecular formula C27H46O2Sn and a molecular weight of 521.37 g/mol. Its IUPAC name is (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal.

Molecular Properties

Compound Name(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal
PubChem CID15189674
Molecular FormulaC27H46O2Sn
Molecular Weight521.37 g/mol
Exact Mass522.25
IUPAC Name(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal
SMILESCCCC[Sn](C/C=C/CCC(CC=O)OCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C15H19O2.3C4H9.Sn/c1-2-3-5-10-15(11-12-16)17-13-14-8-6-4-7-9-14;3*1-3-4-2;/h2-4,6-9,12,15H,1,5,10-11,13H2;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyBQPWPVQMILIGET-KHLYBYSVSA-N
XLogP8.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.37
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal 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

(3R)-3-phenylmethoxyoctadecanal
CID 71606936
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
3-phenylmethoxypentanedial
CID 154678181
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
(Z)-8-tributylstannyloct-6-enal
CID 134880733
(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
methanol;3-phenylmethoxybutanal
CID 170758415
(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal
CID 66560580
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol
CID 15372294
benzyl N-[(E)-heptadec-5-en-2-yl]carbamate
CID 102196542

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal?
The IUPAC name of (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal (CID 15189674) is (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal.
What is the SMILES notation for (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal?
The canonical SMILES for (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal is CCCC[Sn](C/C=C/CCC(CC=O)OCc1ccccc1)(CCCC)CCCC.
What is the InChIKey of (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal?
The InChIKey is BQPWPVQMILIGET-KHLYBYSVSA-N. The full InChI is InChI=1S/C15H19O2.3C4H9.Sn/c1-2-3-5-10-15(11-12-16)17-13-14-8-6-4-7-9-14;3*1-3-4-2;/h2-4,6-9,12,15H,1,5,10-11,13H2;3*1,3-4H2,2H3;/b3-2+;;;;.
What are the key properties of (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal?
(E)-3-phenylmethoxy-8-tributylstannyloct-6-enal has a molecular weight of 521.37 g/mol, XLogP of 8.35, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylmethoxy-8-tributylstannyloct-6-enal is sourced from PubChem (CID 15189674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).