5-(1-ethoxyethoxy)-4-methyldec-3-ene

C15H30O2 — CID 54052664

IUPAC5-(1-ethoxyethoxy)-4-methyldec-3-ene
SMILESCCC=C(C)C(CCCCC)OC(C)OCC
InChIInChI=1S/C15H30O2/c1-6-9-10-12-15(13(4)11-7-2)17-14(5)16-8-3/h11,14-15H,6-10,12H2,1-5H3
InChIKeyLUABQKGNSSXYFD-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.69
Rot. Bonds10

About 5-(1-ethoxyethoxy)-4-methyldec-3-ene

5-(1-ethoxyethoxy)-4-methyldec-3-ene (PubChem CID 54052664) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 5-(1-ethoxyethoxy)-4-methyldec-3-ene.

Molecular Properties

Compound Name5-(1-ethoxyethoxy)-4-methyldec-3-ene
PubChem CID54052664
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name5-(1-ethoxyethoxy)-4-methyldec-3-ene
SMILESCCC=C(C)C(CCCCC)OC(C)OCC
InChIInChI=1S/C15H30O2/c1-6-9-10-12-15(13(4)11-7-2)17-14(5)16-8-3/h11,14-15H,6-10,12H2,1-5H3
InChIKeyLUABQKGNSSXYFD-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethoxy)-4-methyldec-3-ene?
The IUPAC name of 5-(1-ethoxyethoxy)-4-methyldec-3-ene (CID 54052664) is 5-(1-ethoxyethoxy)-4-methyldec-3-ene.
What is the SMILES notation for 5-(1-ethoxyethoxy)-4-methyldec-3-ene?
The canonical SMILES for 5-(1-ethoxyethoxy)-4-methyldec-3-ene is CCC=C(C)C(CCCCC)OC(C)OCC.
What is the InChIKey of 5-(1-ethoxyethoxy)-4-methyldec-3-ene?
The InChIKey is LUABQKGNSSXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-9-10-12-15(13(4)11-7-2)17-14(5)16-8-3/h11,14-15H,6-10,12H2,1-5H3.
What are the key properties of 5-(1-ethoxyethoxy)-4-methyldec-3-ene?
5-(1-ethoxyethoxy)-4-methyldec-3-ene has a molecular weight of 242.40 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethoxy)-4-methyldec-3-ene is sourced from PubChem (CID 54052664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).