(1Z)-3,6-dimethylcyclooctene

C10H18 — CID 159575743

IUPAC(1Z)-3,6-dimethylcyclooctene
SMILESCC1/C=C\CCC(C)CC1
InChIInChI=1S/C10H18/c1-9-5-3-4-6-10(2)8-7-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-
InChIKeyACYPRRYTEBOZKD-HYXAFXHYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About (1Z)-3,6-dimethylcyclooctene

(1Z)-3,6-dimethylcyclooctene (PubChem CID 159575743) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1Z)-3,6-dimethylcyclooctene.

Molecular Properties

Compound Name(1Z)-3,6-dimethylcyclooctene
PubChem CID159575743
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1Z)-3,6-dimethylcyclooctene
SMILESCC1/C=C\CCC(C)CC1
InChIInChI=1S/C10H18/c1-9-5-3-4-6-10(2)8-7-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-
InChIKeyACYPRRYTEBOZKD-HYXAFXHYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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)-3,6-dimethylcyclooctene?
The IUPAC name of (1Z)-3,6-dimethylcyclooctene (CID 159575743) is (1Z)-3,6-dimethylcyclooctene.
What is the SMILES notation for (1Z)-3,6-dimethylcyclooctene?
The canonical SMILES for (1Z)-3,6-dimethylcyclooctene is CC1/C=C\CCC(C)CC1.
What is the InChIKey of (1Z)-3,6-dimethylcyclooctene?
The InChIKey is ACYPRRYTEBOZKD-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H18/c1-9-5-3-4-6-10(2)8-7-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-.
What are the key properties of (1Z)-3,6-dimethylcyclooctene?
(1Z)-3,6-dimethylcyclooctene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,6-dimethylcyclooctene is sourced from PubChem (CID 159575743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).