4-methylnona-1,2,8-triene

C10H16 — CID 123806076

IUPAC4-methylnona-1,2,8-triene
SMILESC=C=CC(C)CCCC=C
InChIInChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h4,8,10H,1-2,6-7,9H2,3H3
InChIKeyPGPFSMQYENWLQR-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.32
Rot. Bonds5

About 4-methylnona-1,2,8-triene

4-methylnona-1,2,8-triene (PubChem CID 123806076) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-methylnona-1,2,8-triene.

Molecular Properties

Compound Name4-methylnona-1,2,8-triene
PubChem CID123806076
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-methylnona-1,2,8-triene
SMILESC=C=CC(C)CCCC=C
InChIInChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h4,8,10H,1-2,6-7,9H2,3H3
InChIKeyPGPFSMQYENWLQR-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-1-hexene
CID 27683
3,4-Dimethyl-1-hexene
CID 140134
6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
4-Ethyl-1-hexene
CID 123365
5-Methyl-1-hexene
CID 77058
1-Hexene, 3,5,5-trimethyl-
CID 92984
3,7-Dimethyloct-1-ene
CID 21085
3-Methyl-1-hexene
CID 18848
1-Hexene, 5,5-dimethyl-
CID 23502
10-Methyl-1-undecene
CID 519941

Frequently Asked Questions

What is the IUPAC name of 4-methylnona-1,2,8-triene?
The IUPAC name of 4-methylnona-1,2,8-triene (CID 123806076) is 4-methylnona-1,2,8-triene.
What is the SMILES notation for 4-methylnona-1,2,8-triene?
The canonical SMILES for 4-methylnona-1,2,8-triene is C=C=CC(C)CCCC=C.
What is the InChIKey of 4-methylnona-1,2,8-triene?
The InChIKey is PGPFSMQYENWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h4,8,10H,1-2,6-7,9H2,3H3.
What are the key properties of 4-methylnona-1,2,8-triene?
4-methylnona-1,2,8-triene has a molecular weight of 136.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnona-1,2,8-triene is sourced from PubChem (CID 123806076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).