11-(triethoxymethyl)nonadec-1-ene

C26H52O3 — CID 150184812

IUPAC11-(triethoxymethyl)nonadec-1-ene
SMILESC=CCCCCCCCCC(CCCCCCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C26H52O3/c1-6-11-13-15-17-18-20-22-24-25(23-21-19-16-14-12-7-2)26(27-8-3,28-9-4)29-10-5/h6,25H,1,7-24H2,2-5H3
InChIKeyFMELYOBWMHGOCI-UHFFFAOYSA-N
MW412.70 g/mol
LogP8.42
Rot. Bonds23

About 11-(triethoxymethyl)nonadec-1-ene

11-(triethoxymethyl)nonadec-1-ene (PubChem CID 150184812) has the molecular formula C26H52O3 and a molecular weight of 412.70 g/mol. Its IUPAC name is 11-(triethoxymethyl)nonadec-1-ene.

Molecular Properties

Compound Name11-(triethoxymethyl)nonadec-1-ene
PubChem CID150184812
Molecular FormulaC26H52O3
Molecular Weight412.70 g/mol
Exact Mass412.39
IUPAC Name11-(triethoxymethyl)nonadec-1-ene
SMILESC=CCCCCCCCCC(CCCCCCCC)C(OCC)(OCC)OCC
InChIInChI=1S/C26H52O3/c1-6-11-13-15-17-18-20-22-24-25(23-21-19-16-14-12-7-2)26(27-8-3,28-9-4)29-10-5/h6,25H,1,7-24H2,2-5H3
InChIKeyFMELYOBWMHGOCI-UHFFFAOYSA-N
XLogP8.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 11-(triethoxymethyl)nonadec-1-ene 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

11-(tributoxymethyl)nonadec-1-ene
CID 151298820
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1,1-difluoro-4-(triethoxymethyl)dodecane
CID 150523131
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
isocyanic acid;4-(triethoxymethyl)dodecane
CID 172765955
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
12-pentyltricosa-1,22-diene
CID 102409743
7-pentyltridec-1-ene
CID 123620244
26-heptadecylnonapentacont-1-ene
CID 123445046
(4R)-N-ethyl-4-(triethoxymethyl)dodecan-1-amine
CID 150711202
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of 11-(triethoxymethyl)nonadec-1-ene?
The IUPAC name of 11-(triethoxymethyl)nonadec-1-ene (CID 150184812) is 11-(triethoxymethyl)nonadec-1-ene.
What is the SMILES notation for 11-(triethoxymethyl)nonadec-1-ene?
The canonical SMILES for 11-(triethoxymethyl)nonadec-1-ene is C=CCCCCCCCCC(CCCCCCCC)C(OCC)(OCC)OCC.
What is the InChIKey of 11-(triethoxymethyl)nonadec-1-ene?
The InChIKey is FMELYOBWMHGOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O3/c1-6-11-13-15-17-18-20-22-24-25(23-21-19-16-14-12-7-2)26(27-8-3,28-9-4)29-10-5/h6,25H,1,7-24H2,2-5H3.
What are the key properties of 11-(triethoxymethyl)nonadec-1-ene?
11-(triethoxymethyl)nonadec-1-ene has a molecular weight of 412.70 g/mol, XLogP of 8.42, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(triethoxymethyl)nonadec-1-ene is sourced from PubChem (CID 150184812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).