5-methylnona-1,3-diene

C10H18 — CID 90893682

IUPAC5-methylnona-1,3-diene
SMILESC=CC=CC(C)CCCC
InChIInChI=1S/C10H18/c1-4-6-8-10(3)9-7-5-2/h4,6,8,10H,1,5,7,9H2,2-3H3
InChIKeyMCQABKUULAFMDC-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds5

About 5-methylnona-1,3-diene

5-methylnona-1,3-diene (PubChem CID 90893682) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 5-methylnona-1,3-diene.

Molecular Properties

Compound Name5-methylnona-1,3-diene
PubChem CID90893682
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name5-methylnona-1,3-diene
SMILESC=CC=CC(C)CCCC
InChIInChI=1S/C10H18/c1-4-6-8-10(3)9-7-5-2/h4,6,8,10H,1,5,7,9H2,2-3H3
InChIKeyMCQABKUULAFMDC-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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

(1E,3E)-5-methylnona-1,3-dien-1-ol
CID 145221921
4-methyloct-2-ene
CID 528286
5-prop-2-enylnona-1,3-diene
CID 91355229
(E,5S)-5-methylnon-3-ene
CID 101420891
acetylene;3-methylhept-1-ene;propane
CID 144520771
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
5-methyldodec-6-ene
CID 86165480
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
5-methylpentadec-6-ene
CID 123440014
ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate
CID 137457943
(3E,5S)-5-hydroperoxydeca-1,3-diene
CID 14901528
(E)-4-methylicos-2-ene
CID 166512402

Frequently Asked Questions

What is the IUPAC name of 5-methylnona-1,3-diene?
The IUPAC name of 5-methylnona-1,3-diene (CID 90893682) is 5-methylnona-1,3-diene.
What is the SMILES notation for 5-methylnona-1,3-diene?
The canonical SMILES for 5-methylnona-1,3-diene is C=CC=CC(C)CCCC.
What is the InChIKey of 5-methylnona-1,3-diene?
The InChIKey is MCQABKUULAFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-8-10(3)9-7-5-2/h4,6,8,10H,1,5,7,9H2,2-3H3.
What are the key properties of 5-methylnona-1,3-diene?
5-methylnona-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnona-1,3-diene is sourced from PubChem (CID 90893682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).