4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene

C20H40O4 — CID 150907200

IUPAC4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene
SMILESCC=CC(CCCCCCC)C(OC)C(OCC)(OCC)OCC
InChIInChI=1S/C20H40O4/c1-7-12-13-14-15-17-18(16-8-2)19(21-6)20(22-9-3,23-10-4)24-11-5/h8,16,18-19H,7,9-15,17H2,1-6H3
InChIKeyLBFPXPIEYVUATE-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.32
Rot. Bonds16

About 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene

4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene (PubChem CID 150907200) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene.

Molecular Properties

Compound Name4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene
PubChem CID150907200
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene
SMILESCC=CC(CCCCCCC)C(OC)C(OCC)(OCC)OCC
InChIInChI=1S/C20H40O4/c1-7-12-13-14-15-17-18(16-8-2)19(21-6)20(22-9-3,23-10-4)24-11-5/h8,16,18-19H,7,9-15,17H2,1-6H3
InChIKeyLBFPXPIEYVUATE-UHFFFAOYSA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-[ethoxy(dimethoxy)methyl]dodec-2-ene
CID 158734367
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
1-chloro-4-(triethoxymethyl)dodec-2-ene
CID 151976903
1,1-dimethoxytetradecane
CID 13265409
benzene;1,1,1-triethoxy-2-methyldecane
CID 159401472
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
1-ethylperoxy-4-(triethoxymethyl)dodecane
CID 151956548
5-prop-1-enyltridecane
CID 57064303
(E)-4-methylicos-2-ene
CID 166512402
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
4-ethyl-5-methyldec-2-ene
CID 91156622

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene?
The IUPAC name of 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene (CID 150907200) is 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene.
What is the SMILES notation for 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene?
The canonical SMILES for 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene is CC=CC(CCCCCCC)C(OC)C(OCC)(OCC)OCC.
What is the InChIKey of 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene?
The InChIKey is LBFPXPIEYVUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-7-12-13-14-15-17-18(16-8-2)19(21-6)20(22-9-3,23-10-4)24-11-5/h8,16,18-19H,7,9-15,17H2,1-6H3.
What are the key properties of 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene?
4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene has a molecular weight of 344.54 g/mol, XLogP of 5.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene is sourced from PubChem (CID 150907200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).