4-methylocta-1,2,3-triene

C9H14 — CID 123456131

IUPAC4-methylocta-1,2,3-triene
SMILESC=C=C=C(C)CCCC
InChIInChI=1S/C9H14/c1-4-6-8-9(3)7-5-2/h2,4,6,8H2,1,3H3
InChIKeyZKIXSRMQRATIMN-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds3

About 4-methylocta-1,2,3-triene

4-methylocta-1,2,3-triene (PubChem CID 123456131) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-methylocta-1,2,3-triene.

Molecular Properties

Compound Name4-methylocta-1,2,3-triene
PubChem CID123456131
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-methylocta-1,2,3-triene
SMILESC=C=C=C(C)CCCC
InChIInChI=1S/C9H14/c1-4-6-8-9(3)7-5-2/h2,4,6,8H2,1,3H3
InChIKeyZKIXSRMQRATIMN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methylocta-1,2,3-triene?
The IUPAC name of 4-methylocta-1,2,3-triene (CID 123456131) is 4-methylocta-1,2,3-triene.
What is the SMILES notation for 4-methylocta-1,2,3-triene?
The canonical SMILES for 4-methylocta-1,2,3-triene is C=C=C=C(C)CCCC.
What is the InChIKey of 4-methylocta-1,2,3-triene?
The InChIKey is ZKIXSRMQRATIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-8-9(3)7-5-2/h2,4,6,8H2,1,3H3.
What are the key properties of 4-methylocta-1,2,3-triene?
4-methylocta-1,2,3-triene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylocta-1,2,3-triene is sourced from PubChem (CID 123456131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).