(Z)-13-ethoxytridec-5-ene

C15H30O — CID 87205027

IUPAC(Z)-13-ethoxytridec-5-ene
SMILESCCCC/C=C\CCCCCCCOCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7-
InChIKeyOCNUFJPYHFHFCO-FPLPWBNLSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds12

About (Z)-13-ethoxytridec-5-ene

(Z)-13-ethoxytridec-5-ene (PubChem CID 87205027) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (Z)-13-ethoxytridec-5-ene.

Molecular Properties

Compound Name(Z)-13-ethoxytridec-5-ene
PubChem CID87205027
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(Z)-13-ethoxytridec-5-ene
SMILESCCCC/C=C\CCCCCCCOCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7-
InChIKeyOCNUFJPYHFHFCO-FPLPWBNLSA-N
XLogP5.11
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 ≤ 55.11
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

(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
15-ethoxypentadec-7-ene
CID 91170991
(E)-18-ethoxyoctadec-3-ene
CID 6437683
(Z)-13-propoxytridec-5-ene
CID 87204974
1-undec-4-enoxyundec-4-ene
CID 91358832
(Z)-1-butoxyheptadec-8-ene
CID 87205101
8-ethoxyoct-2-ene
CID 91178347
1-ethoxytetratriacont-25-en-17-ol
CID 123371812
(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
CID 89100561
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
3-tetradec-9-enoxypropan-1-amine;hydrobromide
CID 173150601

Frequently Asked Questions

What is the IUPAC name of (Z)-13-ethoxytridec-5-ene?
The IUPAC name of (Z)-13-ethoxytridec-5-ene (CID 87205027) is (Z)-13-ethoxytridec-5-ene.
What is the SMILES notation for (Z)-13-ethoxytridec-5-ene?
The canonical SMILES for (Z)-13-ethoxytridec-5-ene is CCCC/C=C\CCCCCCCOCC.
What is the InChIKey of (Z)-13-ethoxytridec-5-ene?
The InChIKey is OCNUFJPYHFHFCO-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7-.
What are the key properties of (Z)-13-ethoxytridec-5-ene?
(Z)-13-ethoxytridec-5-ene has a molecular weight of 226.40 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13-ethoxytridec-5-ene is sourced from PubChem (CID 87205027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).