5-dodecoxy-1-methylcyclopentene

C18H34O — CID 19821094

IUPAC5-dodecoxy-1-methylcyclopentene
SMILESCCCCCCCCCCCCOC1CCC=C1C
InChIInChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-16-19-18-15-13-14-17(18)2/h14,18H,3-13,15-16H2,1-2H3
InChIKeyGYQNBDSYGMCZEU-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.03
Rot. Bonds12

About 5-dodecoxy-1-methylcyclopentene

5-dodecoxy-1-methylcyclopentene (PubChem CID 19821094) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-dodecoxy-1-methylcyclopentene.

Molecular Properties

Compound Name5-dodecoxy-1-methylcyclopentene
PubChem CID19821094
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name5-dodecoxy-1-methylcyclopentene
SMILESCCCCCCCCCCCCOC1CCC=C1C
InChIInChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-16-19-18-15-13-14-17(18)2/h14,18H,3-13,15-16H2,1-2H3
InChIKeyGYQNBDSYGMCZEU-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.03
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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Frequently Asked Questions

What is the IUPAC name of 5-dodecoxy-1-methylcyclopentene?
The IUPAC name of 5-dodecoxy-1-methylcyclopentene (CID 19821094) is 5-dodecoxy-1-methylcyclopentene.
What is the SMILES notation for 5-dodecoxy-1-methylcyclopentene?
The canonical SMILES for 5-dodecoxy-1-methylcyclopentene is CCCCCCCCCCCCOC1CCC=C1C.
What is the InChIKey of 5-dodecoxy-1-methylcyclopentene?
The InChIKey is GYQNBDSYGMCZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-3-4-5-6-7-8-9-10-11-12-16-19-18-15-13-14-17(18)2/h14,18H,3-13,15-16H2,1-2H3.
What are the key properties of 5-dodecoxy-1-methylcyclopentene?
5-dodecoxy-1-methylcyclopentene has a molecular weight of 266.47 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecoxy-1-methylcyclopentene is sourced from PubChem (CID 19821094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).