(1Z)-3-methoxycyclooctene

C9H16O — CID 12522564

IUPAC(1Z)-3-methoxycyclooctene
SMILESCOC1/C=C\CCCCC1
InChIInChI=1S/C9H16O/c1-10-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-
InChIKeyJQISTKWJMMFTGE-ALCCZGGFSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About (1Z)-3-methoxycyclooctene

(1Z)-3-methoxycyclooctene (PubChem CID 12522564) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1Z)-3-methoxycyclooctene.

Molecular Properties

Compound Name(1Z)-3-methoxycyclooctene
PubChem CID12522564
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1Z)-3-methoxycyclooctene
SMILESCOC1/C=C\CCCCC1
InChIInChI=1S/C9H16O/c1-10-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-
InChIKeyJQISTKWJMMFTGE-ALCCZGGFSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methoxycyclooctene?
The IUPAC name of (1Z)-3-methoxycyclooctene (CID 12522564) is (1Z)-3-methoxycyclooctene.
What is the SMILES notation for (1Z)-3-methoxycyclooctene?
The canonical SMILES for (1Z)-3-methoxycyclooctene is COC1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-methoxycyclooctene?
The InChIKey is JQISTKWJMMFTGE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16O/c1-10-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-.
What are the key properties of (1Z)-3-methoxycyclooctene?
(1Z)-3-methoxycyclooctene has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methoxycyclooctene is sourced from PubChem (CID 12522564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).