2-methylnona-2,5,6-triene

C10H16 — CID 173409169

IUPAC2-methylnona-2,5,6-triene
SMILESCCC=C=CCC=C(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h5,7,9H,4,8H2,1-3H3
InChIKeyPNVMHMHSCBRVRN-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.46
Rot. Bonds3

About 2-methylnona-2,5,6-triene

2-methylnona-2,5,6-triene (PubChem CID 173409169) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methylnona-2,5,6-triene.

Molecular Properties

Compound Name2-methylnona-2,5,6-triene
PubChem CID173409169
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methylnona-2,5,6-triene
SMILESCCC=C=CCC=C(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h5,7,9H,4,8H2,1-3H3
InChIKeyPNVMHMHSCBRVRN-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

carbon dioxide;2-methylpent-2-ene
CID 174340897
(2E)-2-ethyl-6-methylhepta-2,5-diene-1,1-diol
CID 88527000
dodeca-3,4-diene
CID 91492112
octa-4,5-dien-1-ol
CID 14002940
2-methyldeca-1,4,6,7-tetraene
CID 123965584
4-propyldeca-6,7-dien-4-ol
CID 25215152
8-ethyl-7-methylundeca-3,4,7-triene
CID 90830873
(2Z)-2,6-dimethylhepta-2,5-dienenitrile
CID 134917311
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
(2E)-2-fluoro-6-methylhepta-2,5-diene
CID 143576133
2-iodo-6-methylhepta-2,5-diene
CID 71330256
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842

Frequently Asked Questions

What is the IUPAC name of 2-methylnona-2,5,6-triene?
The IUPAC name of 2-methylnona-2,5,6-triene (CID 173409169) is 2-methylnona-2,5,6-triene.
What is the SMILES notation for 2-methylnona-2,5,6-triene?
The canonical SMILES for 2-methylnona-2,5,6-triene is CCC=C=CCC=C(C)C.
What is the InChIKey of 2-methylnona-2,5,6-triene?
The InChIKey is PNVMHMHSCBRVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h5,7,9H,4,8H2,1-3H3.
What are the key properties of 2-methylnona-2,5,6-triene?
2-methylnona-2,5,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnona-2,5,6-triene is sourced from PubChem (CID 173409169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).