4-methylnona-1,3-diene

C10H18 — CID 71327710

IUPAC4-methylnona-1,3-diene
SMILESC=CC=C(C)CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8H,2,4,6-7,9H2,1,3H3
InChIKeyKCEWUAAXLWIJBN-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds5

About 4-methylnona-1,3-diene

4-methylnona-1,3-diene (PubChem CID 71327710) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-methylnona-1,3-diene.

Molecular Properties

Compound Name4-methylnona-1,3-diene
PubChem CID71327710
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-methylnona-1,3-diene
SMILESC=CC=C(C)CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8H,2,4,6-7,9H2,1,3H3
InChIKeyKCEWUAAXLWIJBN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
3-methyloct-2-enal
CID 54333143
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
2-methylhept-1-en-1-ol
CID 141483452
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
(4E)-5-methylundeca-1,4-diene
CID 11126649
4-methylheptadec-3-ene
CID 59169426

Frequently Asked Questions

What is the IUPAC name of 4-methylnona-1,3-diene?
The IUPAC name of 4-methylnona-1,3-diene (CID 71327710) is 4-methylnona-1,3-diene.
What is the SMILES notation for 4-methylnona-1,3-diene?
The canonical SMILES for 4-methylnona-1,3-diene is C=CC=C(C)CCCCC.
What is the InChIKey of 4-methylnona-1,3-diene?
The InChIKey is KCEWUAAXLWIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8H,2,4,6-7,9H2,1,3H3.
What are the key properties of 4-methylnona-1,3-diene?
4-methylnona-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnona-1,3-diene is sourced from PubChem (CID 71327710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).