3-ethoxy-3-methyldodec-1-ene

C15H30O — CID 160659750

IUPAC3-ethoxy-3-methyldodec-1-ene
SMILESC=CC(C)(CCCCCCCCC)OCC
InChIInChI=1S/C15H30O/c1-5-8-9-10-11-12-13-14-15(4,6-2)16-7-3/h6H,2,5,7-14H2,1,3-4H3
InChIKeyYCINWWMVWITITJ-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds11

About 3-ethoxy-3-methyldodec-1-ene

3-ethoxy-3-methyldodec-1-ene (PubChem CID 160659750) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3-ethoxy-3-methyldodec-1-ene.

Molecular Properties

Compound Name3-ethoxy-3-methyldodec-1-ene
PubChem CID160659750
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3-ethoxy-3-methyldodec-1-ene
SMILESC=CC(C)(CCCCCCCCC)OCC
InChIInChI=1S/C15H30O/c1-5-8-9-10-11-12-13-14-15(4,6-2)16-7-3/h6H,2,5,7-14H2,1,3-4H3
InChIKeyYCINWWMVWITITJ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090
2,2-diethoxynonane
CID 89439020
5-ethenyl-5-ethoxytetradecane
CID 172806244
4,4-diethoxytridec-1-ene
CID 150818454
2-ethoxy-2-methylundecane
CID 150956805
ruthenium;1,1,1-triethoxydecane
CID 157324278
2-ethoxytetradecan-2-ol
CID 154401470
3,3-diethoxyoctane
CID 89440562
4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium
CID 175325344
2,2-dipropoxyoctane
CID 89440090
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
CID 169099356

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyldodec-1-ene?
The IUPAC name of 3-ethoxy-3-methyldodec-1-ene (CID 160659750) is 3-ethoxy-3-methyldodec-1-ene.
What is the SMILES notation for 3-ethoxy-3-methyldodec-1-ene?
The canonical SMILES for 3-ethoxy-3-methyldodec-1-ene is C=CC(C)(CCCCCCCCC)OCC.
What is the InChIKey of 3-ethoxy-3-methyldodec-1-ene?
The InChIKey is YCINWWMVWITITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-8-9-10-11-12-13-14-15(4,6-2)16-7-3/h6H,2,5,7-14H2,1,3-4H3.
What are the key properties of 3-ethoxy-3-methyldodec-1-ene?
3-ethoxy-3-methyldodec-1-ene has a molecular weight of 226.40 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyldodec-1-ene is sourced from PubChem (CID 160659750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).