5-prop-2-enylnona-1,3-diene

C12H20 — CID 91355229

IUPAC5-prop-2-enylnona-1,3-diene
SMILESC=CC=CC(CC=C)CCCC
InChIInChI=1S/C12H20/c1-4-7-10-12(9-6-3)11-8-5-2/h4,6-7,10,12H,1,3,5,8-9,11H2,2H3
InChIKeyOJTSGLZNRCKHGL-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds7

About 5-prop-2-enylnona-1,3-diene

5-prop-2-enylnona-1,3-diene (PubChem CID 91355229) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-prop-2-enylnona-1,3-diene.

Molecular Properties

Compound Name5-prop-2-enylnona-1,3-diene
PubChem CID91355229
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-prop-2-enylnona-1,3-diene
SMILESC=CC=CC(CC=C)CCCC
InChIInChI=1S/C12H20/c1-4-7-10-12(9-6-3)11-8-5-2/h4,6-7,10,12H,1,3,5,8-9,11H2,2H3
InChIKeyOJTSGLZNRCKHGL-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methylnona-1,3-diene
CID 90893682
[(E)-3-prop-2-enylhept-1-enyl]cyclohexane
CID 102059705
(4S)-4-ethyloct-1-ene
CID 129373406
2-prop-2-enyloctadecanal
CID 173235739
6-prop-2-enyldeca-3,4-dien-2-ol
CID 134982558
ethyl (E)-7-prop-2-enylundec-5-enoate
CID 102059703
trizinc bis([bis(oct-1-en-4-yl)-λ4-sulfanylidene]-trioxido-λ5-phosphane)
CID 173249480
3-ethylhept-1-ene
CID 12923943
4-ethyldeca-1,5-diene
CID 175490783
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylnona-1,3-diene?
The IUPAC name of 5-prop-2-enylnona-1,3-diene (CID 91355229) is 5-prop-2-enylnona-1,3-diene.
What is the SMILES notation for 5-prop-2-enylnona-1,3-diene?
The canonical SMILES for 5-prop-2-enylnona-1,3-diene is C=CC=CC(CC=C)CCCC.
What is the InChIKey of 5-prop-2-enylnona-1,3-diene?
The InChIKey is OJTSGLZNRCKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-7-10-12(9-6-3)11-8-5-2/h4,6-7,10,12H,1,3,5,8-9,11H2,2H3.
What are the key properties of 5-prop-2-enylnona-1,3-diene?
5-prop-2-enylnona-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylnona-1,3-diene is sourced from PubChem (CID 91355229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).