7-methylocta-1,2,4-triene

C9H14 — CID 90858140

IUPAC7-methylocta-1,2,4-triene
SMILESC=C=CC=CCC(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h5-7,9H,1,8H2,2-3H3
InChIKeyBZKWUVMGLVARKR-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.93
Rot. Bonds3

About 7-methylocta-1,2,4-triene

7-methylocta-1,2,4-triene (PubChem CID 90858140) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 7-methylocta-1,2,4-triene.

Molecular Properties

Compound Name7-methylocta-1,2,4-triene
PubChem CID90858140
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name7-methylocta-1,2,4-triene
SMILESC=C=CC=CCC(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h5-7,9H,1,8H2,2-3H3
InChIKeyBZKWUVMGLVARKR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
8-methylnona-1,5-diene
CID 54303226
(2Z,4Z)-7-methylocta-2,4-dien-2-amine
CID 155315035
(E)-4-methylpent-1-en-1-ol
CID 22598252
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E)-2,6-dimethylhept-3-ene
CID 5364654
(6Z,8Z)-2,11-dimethyldodeca-2,6,8-triene
CID 165392440
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430
fluoro-methyl-[(E)-5-methylhex-2-enyl]borane
CID 174062619

Frequently Asked Questions

What is the IUPAC name of 7-methylocta-1,2,4-triene?
The IUPAC name of 7-methylocta-1,2,4-triene (CID 90858140) is 7-methylocta-1,2,4-triene.
What is the SMILES notation for 7-methylocta-1,2,4-triene?
The canonical SMILES for 7-methylocta-1,2,4-triene is C=C=CC=CCC(C)C.
What is the InChIKey of 7-methylocta-1,2,4-triene?
The InChIKey is BZKWUVMGLVARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h5-7,9H,1,8H2,2-3H3.
What are the key properties of 7-methylocta-1,2,4-triene?
7-methylocta-1,2,4-triene has a molecular weight of 122.21 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylocta-1,2,4-triene is sourced from PubChem (CID 90858140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).