1,1-diethoxyundec-2-ene

C15H30O2 — CID 3018094

IUPAC1,1-diethoxyundec-2-ene
SMILESCCCCCCCCC=CC(OCC)OCC
InChIInChI=1S/C15H30O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h13-15H,4-12H2,1-3H3
InChIKeyLBQJYAKETIUXGG-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.69
Rot. Bonds12

About 1,1-diethoxyundec-2-ene

1,1-diethoxyundec-2-ene (PubChem CID 3018094) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1,1-diethoxyundec-2-ene.

Molecular Properties

Compound Name1,1-diethoxyundec-2-ene
PubChem CID3018094
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1,1-diethoxyundec-2-ene
SMILESCCCCCCCCC=CC(OCC)OCC
InChIInChI=1S/C15H30O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h13-15H,4-12H2,1-3H3
InChIKeyLBQJYAKETIUXGG-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-1,1-diethoxydec-2-ene
CID 6437222
1,1-dimethoxynon-2-ene
CID 71435649
1-ethoxy-1-(1-ethoxy-8,8-dihexoxyoct-2-enoxy)-8,8-dihexoxyoct-2-ene
CID 162350665
[(E)-6,6-diethoxyhex-4-enyl]phosphane
CID 175489777
[(E)-1-acetyloxyoct-2-enyl] acetate
CID 88547351
1-[6-ethoxy-6-(1-ethoxy-6,6-diheptoxyhex-2-enoxy)-1-heptoxyhex-4-enoxy]heptane
CID 162350456
1-ethoxy-1-(1-ethoxy-13,13-dipropoxytridec-2-enoxy)-13,13-dipropoxytridec-2-ene
CID 163287964
1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
CID 162350652
14-nonoxy-14-(1-nonoxy-14-oxotetradec-2-enoxy)tetradec-12-enal
CID 162350460
15-nonoxy-15-(1-nonoxy-15-oxopentadec-2-enoxy)pentadec-13-enal
CID 162350267
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
1-(15,15-dioctoxy-1-pentoxypentadec-2-enoxy)-15,15-dioctoxy-1-pentoxypentadec-2-ene
CID 163287987

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyundec-2-ene?
The IUPAC name of 1,1-diethoxyundec-2-ene (CID 3018094) is 1,1-diethoxyundec-2-ene.
What is the SMILES notation for 1,1-diethoxyundec-2-ene?
The canonical SMILES for 1,1-diethoxyundec-2-ene is CCCCCCCCC=CC(OCC)OCC.
What is the InChIKey of 1,1-diethoxyundec-2-ene?
The InChIKey is LBQJYAKETIUXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,1-diethoxyundec-2-ene?
1,1-diethoxyundec-2-ene has a molecular weight of 242.40 g/mol, XLogP of 4.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyundec-2-ene is sourced from PubChem (CID 3018094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).