3-ethoxy-3,4-diethyldodec-1-ene

C18H36O — CID 157236735

IUPAC3-ethoxy-3,4-diethyldodec-1-ene
SMILESC=CC(CC)(OCC)C(CC)CCCCCCCC
InChIInChI=1S/C18H36O/c1-6-11-12-13-14-15-16-17(7-2)18(8-3,9-4)19-10-5/h8,17H,3,6-7,9-16H2,1-2,4-5H3
InChIKeyAUSKNCCBEZHROY-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.13
Rot. Bonds13

About 3-ethoxy-3,4-diethyldodec-1-ene

3-ethoxy-3,4-diethyldodec-1-ene (PubChem CID 157236735) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 3-ethoxy-3,4-diethyldodec-1-ene.

Molecular Properties

Compound Name3-ethoxy-3,4-diethyldodec-1-ene
PubChem CID157236735
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name3-ethoxy-3,4-diethyldodec-1-ene
SMILESC=CC(CC)(OCC)C(CC)CCCCCCCC
InChIInChI=1S/C18H36O/c1-6-11-12-13-14-15-16-17(7-2)18(8-3,9-4)19-10-5/h8,17H,3,6-7,9-16H2,1-2,4-5H3
InChIKeyAUSKNCCBEZHROY-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.13
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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3,4-diethyldodec-1-ene?
The IUPAC name of 3-ethoxy-3,4-diethyldodec-1-ene (CID 157236735) is 3-ethoxy-3,4-diethyldodec-1-ene.
What is the SMILES notation for 3-ethoxy-3,4-diethyldodec-1-ene?
The canonical SMILES for 3-ethoxy-3,4-diethyldodec-1-ene is C=CC(CC)(OCC)C(CC)CCCCCCCC.
What is the InChIKey of 3-ethoxy-3,4-diethyldodec-1-ene?
The InChIKey is AUSKNCCBEZHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-6-11-12-13-14-15-16-17(7-2)18(8-3,9-4)19-10-5/h8,17H,3,6-7,9-16H2,1-2,4-5H3.
What are the key properties of 3-ethoxy-3,4-diethyldodec-1-ene?
3-ethoxy-3,4-diethyldodec-1-ene has a molecular weight of 268.48 g/mol, XLogP of 6.13, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3,4-diethyldodec-1-ene is sourced from PubChem (CID 157236735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).