8-methylnona-2,4,7-triene

C10H16 — CID 152746418

IUPAC8-methylnona-2,4,7-triene
SMILESCC=CC=CCC=C(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h4-7,9H,8H2,1-3H3
InChIKeyUJIISNNDUHUIGM-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds3

About 8-methylnona-2,4,7-triene

8-methylnona-2,4,7-triene (PubChem CID 152746418) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 8-methylnona-2,4,7-triene.

Molecular Properties

Compound Name8-methylnona-2,4,7-triene
PubChem CID152746418
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name8-methylnona-2,4,7-triene
SMILESCC=CC=CCC=C(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h4-7,9H,8H2,1-3H3
InChIKeyUJIISNNDUHUIGM-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-methyltetradeca-2,4,7,9,12-pentaene
CID 141042265
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
(2E)-6-methylhepta-2,5-dienoic acid
CID 55299219
2-iodo-6-methylhepta-2,5-diene
CID 71330256
(4E)-hexa-2,4-diene
CID 22435466
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
(2E,8E,10E)-2-methyldodeca-2,8,10-trienal
CID 15331553
(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide
CID 143060316
acetyl acetate;(2E,4E)-hexa-2,4-dien-1-ol
CID 158678066

Frequently Asked Questions

What is the IUPAC name of 8-methylnona-2,4,7-triene?
The IUPAC name of 8-methylnona-2,4,7-triene (CID 152746418) is 8-methylnona-2,4,7-triene.
What is the SMILES notation for 8-methylnona-2,4,7-triene?
The canonical SMILES for 8-methylnona-2,4,7-triene is CC=CC=CCC=C(C)C.
What is the InChIKey of 8-methylnona-2,4,7-triene?
The InChIKey is UJIISNNDUHUIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 8-methylnona-2,4,7-triene?
8-methylnona-2,4,7-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnona-2,4,7-triene is sourced from PubChem (CID 152746418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).