2-methylocta-3,4,5-triene

C9H14 — CID 123654012

IUPAC2-methylocta-3,4,5-triene
SMILESCCC=C=C=CC(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h5,8-9H,4H2,1-3H3/b8-5+
InChIKeyCGJFTTHXRBZFBD-VMPITWQZSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds2

About 2-methylocta-3,4,5-triene

2-methylocta-3,4,5-triene (PubChem CID 123654012) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-methylocta-3,4,5-triene.

Molecular Properties

Compound Name2-methylocta-3,4,5-triene
PubChem CID123654012
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-methylocta-3,4,5-triene
SMILESCCC=C=C=CC(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h5,8-9H,4H2,1-3H3/b8-5+
InChIKeyCGJFTTHXRBZFBD-VMPITWQZSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylocta-3,4-diene
CID 123388869
6,7-dimethyldeca-3,4-diene
CID 123960916
CID 143367366
CID 143367366
but-1-ene-1-thione
CID 14644479
(E)-4-methylpent-2-ene;propane
CID 142019888
ethane;2-methylpropane;propane
CID 144940074
CID 161469651
CID 161469651
diethyl 2-(5-methylhexa-2,3-dienyl)propanedioate
CID 102302828
N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine
CID 139302204
hydrogen peroxide;propane
CID 18348147
3,6-dimethyloct-4-ene
CID 73165576
CID 101484498
CID 101484498

Frequently Asked Questions

What is the IUPAC name of 2-methylocta-3,4,5-triene?
The IUPAC name of 2-methylocta-3,4,5-triene (CID 123654012) is 2-methylocta-3,4,5-triene.
What is the SMILES notation for 2-methylocta-3,4,5-triene?
The canonical SMILES for 2-methylocta-3,4,5-triene is CCC=C=C=CC(C)C.
What is the InChIKey of 2-methylocta-3,4,5-triene?
The InChIKey is CGJFTTHXRBZFBD-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h5,8-9H,4H2,1-3H3/b8-5+.
What are the key properties of 2-methylocta-3,4,5-triene?
2-methylocta-3,4,5-triene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-3,4,5-triene is sourced from PubChem (CID 123654012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).