(1Z)-3-methylcyclooctene

C9H16 — CID 5352586

IUPAC(1Z)-3-methylcyclooctene
SMILESCC1/C=C\CCCCC1
InChIInChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-
InChIKeyVGMAAJKEQOXIML-ALCCZGGFSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About (1Z)-3-methylcyclooctene

(1Z)-3-methylcyclooctene (PubChem CID 5352586) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (1Z)-3-methylcyclooctene.

Molecular Properties

Compound Name(1Z)-3-methylcyclooctene
PubChem CID5352586
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(1Z)-3-methylcyclooctene
SMILESCC1/C=C\CCCCC1
InChIInChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-
InChIKeyVGMAAJKEQOXIML-ALCCZGGFSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methylcyclooctene?
The IUPAC name of (1Z)-3-methylcyclooctene (CID 5352586) is (1Z)-3-methylcyclooctene.
What is the SMILES notation for (1Z)-3-methylcyclooctene?
The canonical SMILES for (1Z)-3-methylcyclooctene is CC1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-methylcyclooctene?
The InChIKey is VGMAAJKEQOXIML-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-.
What are the key properties of (1Z)-3-methylcyclooctene?
(1Z)-3-methylcyclooctene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methylcyclooctene is sourced from PubChem (CID 5352586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).