3-methylnona-1,3,5-triene

C10H16 — CID 154088357

IUPAC3-methylnona-1,3,5-triene
SMILESC=CC(C)=CC=CCCC
InChIInChI=1S/C10H16/c1-4-6-7-8-9-10(3)5-2/h5,7-9H,2,4,6H2,1,3H3
InChIKeyHHFDHJOHXMOQMI-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds4

About 3-methylnona-1,3,5-triene

3-methylnona-1,3,5-triene (PubChem CID 154088357) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methylnona-1,3,5-triene.

Molecular Properties

Compound Name3-methylnona-1,3,5-triene
PubChem CID154088357
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-methylnona-1,3,5-triene
SMILESC=CC(C)=CC=CCCC
InChIInChI=1S/C10H16/c1-4-6-7-8-9-10(3)5-2/h5,7-9H,2,4,6H2,1,3H3
InChIKeyHHFDHJOHXMOQMI-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
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

(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
CID 102265677
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
(1E,3Z)-1-chloro-4-methylhexa-1,3,5-triene
CID 87415346
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
(3Z)-hepta-1,3-diene
CID 6427773
3-methylnona-3,5-dien-2-one
CID 173004598
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520
3-methyl-2-methylidenenona-3,5-dienenitrile
CID 123694554
7,9,12-trimethylpentadeca-4,6,8-triene
CID 123487662
(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
CID 87665595

Frequently Asked Questions

What is the IUPAC name of 3-methylnona-1,3,5-triene?
The IUPAC name of 3-methylnona-1,3,5-triene (CID 154088357) is 3-methylnona-1,3,5-triene.
What is the SMILES notation for 3-methylnona-1,3,5-triene?
The canonical SMILES for 3-methylnona-1,3,5-triene is C=CC(C)=CC=CCCC.
What is the InChIKey of 3-methylnona-1,3,5-triene?
The InChIKey is HHFDHJOHXMOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-7-8-9-10(3)5-2/h5,7-9H,2,4,6H2,1,3H3.
What are the key properties of 3-methylnona-1,3,5-triene?
3-methylnona-1,3,5-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnona-1,3,5-triene is sourced from PubChem (CID 154088357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).