1-ethoxytridec-1-ene

C15H30O — CID 173032013

IUPAC1-ethoxytridec-1-ene
SMILESCCCCCCCCCCCC=COCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2/h14-15H,3-13H2,1-2H3
InChIKeyCWICVQSBOXPLJC-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.46
Rot. Bonds12

About 1-ethoxytridec-1-ene

1-ethoxytridec-1-ene (PubChem CID 173032013) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-ethoxytridec-1-ene.

Molecular Properties

Compound Name1-ethoxytridec-1-ene
PubChem CID173032013
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-ethoxytridec-1-ene
SMILESCCCCCCCCCCCC=COCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2/h14-15H,3-13H2,1-2H3
InChIKeyCWICVQSBOXPLJC-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyundec-1-ene
CID 71331710
1-ethoxyhex-1-ene
CID 53422434
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
1-non-2-enoxynon-1-ene
CID 151686725
(E)-1-prop-2-enoxyundec-1-ene
CID 71775346
1-prop-2-enoxydec-1-ene
CID 156690468
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
(Z)-1-ethoxypent-1-ene
CID 12512190
1-hydroperoxyundec-1-ene
CID 140553152

Frequently Asked Questions

What is the IUPAC name of 1-ethoxytridec-1-ene?
The IUPAC name of 1-ethoxytridec-1-ene (CID 173032013) is 1-ethoxytridec-1-ene.
What is the SMILES notation for 1-ethoxytridec-1-ene?
The canonical SMILES for 1-ethoxytridec-1-ene is CCCCCCCCCCCC=COCC.
What is the InChIKey of 1-ethoxytridec-1-ene?
The InChIKey is CWICVQSBOXPLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-ethoxytridec-1-ene?
1-ethoxytridec-1-ene has a molecular weight of 226.40 g/mol, XLogP of 5.46, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxytridec-1-ene is sourced from PubChem (CID 173032013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).