nona-4,5-diene

C9H16 — CID 549037

IUPACnona-4,5-diene
SMILESCCCC=C=CCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyNYLHDUHTALIPLY-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.30
Rot. Bonds4

About nona-4,5-diene

nona-4,5-diene (PubChem CID 549037) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is nona-4,5-diene.

Molecular Properties

Compound Namenona-4,5-diene
PubChem CID549037
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namenona-4,5-diene
SMILESCCCC=C=CCCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyNYLHDUHTALIPLY-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Hexadiene
CID 136379
3,4-Octadiene, 7-methyl-
CID 142131
3,4-Octadiene
CID 141904
2,2,5,5-Tetramethyl-3,4-heptadiene
CID 142568
1,2-Nonadiene
CID 519948
1,2-Octadiene
CID 10464316
Octa-1,2,6,7-teraene
CID 137996
Octa-2,3-diene
CID 140092
Ethene--hex-1-ene (1/1)
CID 168324
Ethene propene 1-butene
CID 168434
But-1-ene;ethene;hex-1-ene
CID 6454028
Propylene hexene-1 ethylene
CID 18705481

Frequently Asked Questions

What is the IUPAC name of nona-4,5-diene?
The IUPAC name of nona-4,5-diene (CID 549037) is nona-4,5-diene.
What is the SMILES notation for nona-4,5-diene?
The canonical SMILES for nona-4,5-diene is CCCC=C=CCCC.
What is the InChIKey of nona-4,5-diene?
The InChIKey is NYLHDUHTALIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of nona-4,5-diene?
nona-4,5-diene has a molecular weight of 124.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-4,5-diene is sourced from PubChem (CID 549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).