(1Z)-5-methoxycyclooctene

C9H15O- — CID 102327903

IUPAC(1Z)-5-methoxycyclooctene
SMILESCOC1[CH-]CC/C=C\CC1
InChIInChI=1S/C9H15O/c1-10-9-7-5-3-2-4-6-8-9/h2-3,8-9H,4-7H2,1H3/q-1/b3-2-
InChIKeyLTIVCCGKPUDOBW-IHWYPQMZSA-N
MW139.22 g/mol
LogP2.34
Rot. Bonds1

About (1Z)-5-methoxycyclooctene

(1Z)-5-methoxycyclooctene (PubChem CID 102327903) has the molecular formula C9H15O- and a molecular weight of 139.22 g/mol. Its IUPAC name is (1Z)-5-methoxycyclooctene.

Molecular Properties

Compound Name(1Z)-5-methoxycyclooctene
PubChem CID102327903
Molecular FormulaC9H15O-
Molecular Weight139.22 g/mol
Exact Mass139.11
IUPAC Name(1Z)-5-methoxycyclooctene
SMILESCOC1[CH-]CC/C=C\CC1
InChIInChI=1S/C9H15O/c1-10-9-7-5-3-2-4-6-8-9/h2-3,8-9H,4-7H2,1H3/q-1/b3-2-
InChIKeyLTIVCCGKPUDOBW-IHWYPQMZSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-Oxabicyclo[6.1.0]non-4-ene
CID 5356565
1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
Cyclooct-4-en-1-ol
CID 98392
4-Cycloocten-1-ol
CID 5381510
(E)-cyclooct-4-enol
CID 12385615
(1S,4E)-cyclooct-4-en-1-ol
CID 57552487
(R)-Tco-OH
CID 89836243
5,6-Epoxycyclooctene
CID 96238
(E)-1-Hydroxy-4-cyclooctene
CID 86333982
5-Methoxy-cyclooctene
CID 5365282
(1R,8S)-Rel-9-oxabicyclo[6.1.0]non-4-ene
CID 6994296

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-methoxycyclooctene?
The IUPAC name of (1Z)-5-methoxycyclooctene (CID 102327903) is (1Z)-5-methoxycyclooctene.
What is the SMILES notation for (1Z)-5-methoxycyclooctene?
The canonical SMILES for (1Z)-5-methoxycyclooctene is COC1[CH-]CC/C=C\CC1.
What is the InChIKey of (1Z)-5-methoxycyclooctene?
The InChIKey is LTIVCCGKPUDOBW-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H15O/c1-10-9-7-5-3-2-4-6-8-9/h2-3,8-9H,4-7H2,1H3/q-1/b3-2-.
What are the key properties of (1Z)-5-methoxycyclooctene?
(1Z)-5-methoxycyclooctene has a molecular weight of 139.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-methoxycyclooctene is sourced from PubChem (CID 102327903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).