(1Z)-6-methylcyclononene

C10H18 — CID 22177377

IUPAC(1Z)-6-methylcyclononene
SMILESCC1CCC/C=C\CCC1
InChIInChI=1S/C10H18/c1-10-8-6-4-2-3-5-7-9-10/h2-3,10H,4-9H2,1H3/b3-2-
InChIKeyDFSUIIMXBUOELI-IHWYPQMZSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds

About (1Z)-6-methylcyclononene

(1Z)-6-methylcyclononene (PubChem CID 22177377) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1Z)-6-methylcyclononene.

Molecular Properties

Compound Name(1Z)-6-methylcyclononene
PubChem CID22177377
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1Z)-6-methylcyclononene
SMILESCC1CCC/C=C\CCC1
InChIInChI=1S/C10H18/c1-10-8-6-4-2-3-5-7-9-10/h2-3,10H,4-9H2,1H3/b3-2-
InChIKeyDFSUIIMXBUOELI-IHWYPQMZSA-N
XLogP3.53
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 ≤ 53.53
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)-6-methylcyclononene?
The IUPAC name of (1Z)-6-methylcyclononene (CID 22177377) is (1Z)-6-methylcyclononene.
What is the SMILES notation for (1Z)-6-methylcyclononene?
The canonical SMILES for (1Z)-6-methylcyclononene is CC1CCC/C=C\CCC1.
What is the InChIKey of (1Z)-6-methylcyclononene?
The InChIKey is DFSUIIMXBUOELI-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H18/c1-10-8-6-4-2-3-5-7-9-10/h2-3,10H,4-9H2,1H3/b3-2-.
What are the key properties of (1Z)-6-methylcyclononene?
(1Z)-6-methylcyclononene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-methylcyclononene is sourced from PubChem (CID 22177377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).