(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene

C10H14 — CID 176704400

IUPAC(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene
SMILESCC1=C/C/C=C/CC\C=C\1
InChIInChI=1S/C10H14/c1-10-8-6-4-2-3-5-7-9-10/h2,4,7-9H,3,5-6H2,1H3/b4-2+,9-7+,10-8-
InChIKeyYMGSKKOHDUFFQS-MEYGQXDVSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds

About (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene

(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene (PubChem CID 176704400) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene.

Molecular Properties

Compound Name(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene
PubChem CID176704400
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene
SMILESCC1=C/C/C=C/CC\C=C\1
InChIInChI=1S/C10H14/c1-10-8-6-4-2-3-5-7-9-10/h2,4,7-9H,3,5-6H2,1H3/b4-2+,9-7+,10-8-
InChIKeyYMGSKKOHDUFFQS-MEYGQXDVSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methylcyclohexa-1,3-diene
CID 143188946
2-methylcycloundeca-1,3,7-triene
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ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
CID 174773515
CID 174773515
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
(7Z)-cyclodeca-1,4,7-triene
CID 123563999
4-bromo-2-methylcyclohepta-1,3,5-triene
CID 143463506
6-methyl-2,3-dihydroazocine
CID 123702190
ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
CID 159843213

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene?
The IUPAC name of (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene (CID 176704400) is (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene.
What is the SMILES notation for (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene?
The canonical SMILES for (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene is CC1=C/C/C=C/CC\C=C\1.
What is the InChIKey of (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene?
The InChIKey is YMGSKKOHDUFFQS-MEYGQXDVSA-N. The full InChI is InChI=1S/C10H14/c1-10-8-6-4-2-3-5-7-9-10/h2,4,7-9H,3,5-6H2,1H3/b4-2+,9-7+,10-8-.
What are the key properties of (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene?
(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,6E)-3-methylcyclonona-1,3,6-triene is sourced from PubChem (CID 176704400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).