(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal

C27H50O3Sn — CID 15700072

IUPAC(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal
SMILESCC=C=C(CCC/C=C/C(CCC=O)OCOC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H23O3.3C4H9.Sn/c1-3-4-5-6-7-8-9-11-15(12-10-13-16)18-14-17-2;3*1-3-4-2;/h3,9,11,13,15H,6-8,10,12,14H2,1-2H3;3*1,3-4H2,2H3;/b11-9+;;;;
InChIKeyRCYAQHSIWBHJNL-ARLMWRGNSA-N
MW541.41 g/mol
LogP8.17
Rot. Bonds21

About (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal

(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal (PubChem CID 15700072) has the molecular formula C27H50O3Sn and a molecular weight of 541.41 g/mol. Its IUPAC name is (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal.

Molecular Properties

Compound Name(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal
PubChem CID15700072
Molecular FormulaC27H50O3Sn
Molecular Weight541.41 g/mol
Exact Mass542.28
IUPAC Name(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal
SMILESCC=C=C(CCC/C=C/C(CCC=O)OCOC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H23O3.3C4H9.Sn/c1-3-4-5-6-7-8-9-11-15(12-10-13-16)18-14-17-2;3*1-3-4-2;/h3,9,11,13,15H,6-8,10,12,14H2,1-2H3;3*1,3-4H2,2H3;/b11-9+;;;;
InChIKeyRCYAQHSIWBHJNL-ARLMWRGNSA-N
XLogP8.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.41
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal 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

3-tributylstannylhexa-3,4-dien-1-ol
CID 15122114
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
CID 11150636
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
CID 11057009
ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate
CID 14737920
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
butyl-(1-hydroxy-4-oxobutyl)tin
CID 87179717
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(Z)-11-(2,3-dihydroxypropoxy)octadec-9-enoic acid
CID 87968680
tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
CID 12839862

Frequently Asked Questions

What is the IUPAC name of (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal?
The IUPAC name of (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal (CID 15700072) is (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal.
What is the SMILES notation for (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal?
The canonical SMILES for (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal is CC=C=C(CCC/C=C/C(CCC=O)OCOC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal?
The InChIKey is RCYAQHSIWBHJNL-ARLMWRGNSA-N. The full InChI is InChI=1S/C15H23O3.3C4H9.Sn/c1-3-4-5-6-7-8-9-11-15(12-10-13-16)18-14-17-2;3*1-3-4-2;/h3,9,11,13,15H,6-8,10,12,14H2,1-2H3;3*1,3-4H2,2H3;/b11-9+;;;;.
What are the key properties of (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal?
(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal has a molecular weight of 541.41 g/mol, XLogP of 8.17, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal is sourced from PubChem (CID 15700072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).