4-[ethoxy(dimethoxy)methyl]dodec-2-ene

C17H34O3 — CID 158734367

IUPAC4-[ethoxy(dimethoxy)methyl]dodec-2-ene
SMILESCC=CC(CCCCCCCC)C(OC)(OC)OCC
InChIInChI=1S/C17H34O3/c1-6-9-10-11-12-13-15-16(14-7-2)17(18-4,19-5)20-8-3/h7,14,16H,6,8-13,15H2,1-5H3
InChIKeyOALDZHYVLOYXDF-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.91
Rot. Bonds13

About 4-[ethoxy(dimethoxy)methyl]dodec-2-ene

4-[ethoxy(dimethoxy)methyl]dodec-2-ene (PubChem CID 158734367) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[ethoxy(dimethoxy)methyl]dodec-2-ene.

Molecular Properties

Compound Name4-[ethoxy(dimethoxy)methyl]dodec-2-ene
PubChem CID158734367
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name4-[ethoxy(dimethoxy)methyl]dodec-2-ene
SMILESCC=CC(CCCCCCCC)C(OC)(OC)OCC
InChIInChI=1S/C17H34O3/c1-6-9-10-11-12-13-15-16(14-7-2)17(18-4,19-5)20-8-3/h7,14,16H,6,8-13,15H2,1-5H3
InChIKeyOALDZHYVLOYXDF-UHFFFAOYSA-N
XLogP4.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.91
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'}

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Related Compounds

4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene
CID 150907200
1-chloro-4-(triethoxymethyl)dodec-2-ene
CID 151976903
3-[dihexoxy(methoxy)methyl]undec-1-ene
CID 151120390
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
1-but-1-enoxy-4-(triethoxymethyl)dodecane;1-prop-1-enoxy-4-(trimethoxymethyl)dodecane
CID 162010772
6-(trimethoxymethyl)tridecane
CID 151806345
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
3-(trimethoxymethyl)undecane
CID 150552650
1,1,1-trimethoxydecan-2-amine
CID 150913764
1-iodo-4-(tributoxymethyl)dodec-2-ene
CID 150616495
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
benzene;1,1,1-triethoxy-2-methyldecane
CID 159401472

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(dimethoxy)methyl]dodec-2-ene?
The IUPAC name of 4-[ethoxy(dimethoxy)methyl]dodec-2-ene (CID 158734367) is 4-[ethoxy(dimethoxy)methyl]dodec-2-ene.
What is the SMILES notation for 4-[ethoxy(dimethoxy)methyl]dodec-2-ene?
The canonical SMILES for 4-[ethoxy(dimethoxy)methyl]dodec-2-ene is CC=CC(CCCCCCCC)C(OC)(OC)OCC.
What is the InChIKey of 4-[ethoxy(dimethoxy)methyl]dodec-2-ene?
The InChIKey is OALDZHYVLOYXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-6-9-10-11-12-13-15-16(14-7-2)17(18-4,19-5)20-8-3/h7,14,16H,6,8-13,15H2,1-5H3.
What are the key properties of 4-[ethoxy(dimethoxy)methyl]dodec-2-ene?
4-[ethoxy(dimethoxy)methyl]dodec-2-ene has a molecular weight of 286.46 g/mol, XLogP of 4.91, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(dimethoxy)methyl]dodec-2-ene is sourced from PubChem (CID 158734367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).