3-methoxytetradec-5-ene

C15H30O — CID 175147836

IUPAC3-methoxytetradec-5-ene
SMILESCCCCCCCCC=CCC(CC)OC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-14-15(5-2)16-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyZDWLSPLPZCXDCK-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds11

About 3-methoxytetradec-5-ene

3-methoxytetradec-5-ene (PubChem CID 175147836) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3-methoxytetradec-5-ene.

Molecular Properties

Compound Name3-methoxytetradec-5-ene
PubChem CID175147836
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3-methoxytetradec-5-ene
SMILESCCCCCCCCC=CCC(CC)OC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-14-15(5-2)16-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyZDWLSPLPZCXDCK-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
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

(2S)-3-[(Z,2R)-2-methoxyheptadec-4-enoxy]propane-1,2-diol
CID 137323849
(E)-3-methylnonadec-5-ene
CID 145095642
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of 3-methoxytetradec-5-ene?
The IUPAC name of 3-methoxytetradec-5-ene (CID 175147836) is 3-methoxytetradec-5-ene.
What is the SMILES notation for 3-methoxytetradec-5-ene?
The canonical SMILES for 3-methoxytetradec-5-ene is CCCCCCCCC=CCC(CC)OC.
What is the InChIKey of 3-methoxytetradec-5-ene?
The InChIKey is ZDWLSPLPZCXDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-14-15(5-2)16-3/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of 3-methoxytetradec-5-ene?
3-methoxytetradec-5-ene has a molecular weight of 226.40 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxytetradec-5-ene is sourced from PubChem (CID 175147836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).