2-methylocta-2,3,4-triene

C9H14 — CID 11819084

IUPAC2-methylocta-2,3,4-triene
SMILESCCCC=C=C=C(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h6H,4-5H2,1-3H3
InChIKeyLOZUKYMWZMXTAE-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds2

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

2-methylocta-2,3,4-triene (PubChem CID 11819084) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-methylocta-2,3,4-triene.

Molecular Properties

Compound Name2-methylocta-2,3,4-triene
PubChem CID11819084
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-methylocta-2,3,4-triene
SMILESCCCC=C=C=C(C)C
InChIInChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h6H,4-5H2,1-3H3
InChIKeyLOZUKYMWZMXTAE-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylocta-2,3,4-triene?
The IUPAC name of 2-methylocta-2,3,4-triene (CID 11819084) is 2-methylocta-2,3,4-triene.
What is the SMILES notation for 2-methylocta-2,3,4-triene?
The canonical SMILES for 2-methylocta-2,3,4-triene is CCCC=C=C=C(C)C.
What is the InChIKey of 2-methylocta-2,3,4-triene?
The InChIKey is LOZUKYMWZMXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylocta-2,3,4-triene?
2-methylocta-2,3,4-triene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-2,3,4-triene is sourced from PubChem (CID 11819084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).