(5E)-nona-1,5-diene

C9H16 — CID 6429608

IUPAC(5E)-nona-1,5-diene
SMILESC=CCC/C=C/CCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,8-9H,1,4-7H2,2H3/b9-8+
InChIKeyAZRLPRUNACPLIV-CMDGGOBGSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds5

About (5E)-nona-1,5-diene

(5E)-nona-1,5-diene (PubChem CID 6429608) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (5E)-nona-1,5-diene.

Molecular Properties

Compound Name(5E)-nona-1,5-diene
PubChem CID6429608
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(5E)-nona-1,5-diene
SMILESC=CCC/C=C/CCC
InChIInChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,8-9H,1,4-7H2,2H3/b9-8+
InChIKeyAZRLPRUNACPLIV-CMDGGOBGSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
(5E)-deca-1,5,9-triene
CID 5362636
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(11E)-pentadeca-1,11-diene
CID 15206768
pentadeca-1,5,9-triene
CID 174048710
tetradeca-1,10-diene
CID 141056381
(111C)pent-1-ene
CID 177423582
ethene;octa-1,5-diene
CID 175164046
(6E,13E)-heptadeca-1,6,13-triene
CID 122203788
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826
CID 175109121
CID 175109121

Frequently Asked Questions

What is the IUPAC name of (5E)-nona-1,5-diene?
The IUPAC name of (5E)-nona-1,5-diene (CID 6429608) is (5E)-nona-1,5-diene.
What is the SMILES notation for (5E)-nona-1,5-diene?
The canonical SMILES for (5E)-nona-1,5-diene is C=CCC/C=C/CCC.
What is the InChIKey of (5E)-nona-1,5-diene?
The InChIKey is AZRLPRUNACPLIV-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,8-9H,1,4-7H2,2H3/b9-8+.
What are the key properties of (5E)-nona-1,5-diene?
(5E)-nona-1,5-diene has a molecular weight of 124.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-nona-1,5-diene is sourced from PubChem (CID 6429608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).