5-prop-2-enylnona-1,8-diene

C12H20 — CID 54537373

IUPAC5-prop-2-enylnona-1,8-diene
SMILESC=CCCC(CC=C)CCC=C
InChIInChI=1S/C12H20/c1-4-7-10-12(9-6-3)11-8-5-2/h4-6,12H,1-3,7-11H2
InChIKeyZASSKOQYUZECCD-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds8

About 5-prop-2-enylnona-1,8-diene

5-prop-2-enylnona-1,8-diene (PubChem CID 54537373) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-prop-2-enylnona-1,8-diene.

Molecular Properties

Compound Name5-prop-2-enylnona-1,8-diene
PubChem CID54537373
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-prop-2-enylnona-1,8-diene
SMILESC=CCCC(CC=C)CCC=C
InChIInChI=1S/C12H20/c1-4-7-10-12(9-6-3)11-8-5-2/h4-6,12H,1-3,7-11H2
InChIKeyZASSKOQYUZECCD-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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'}

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Related Compounds

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3-prop-2-enylhex-5-en-1-amine;hydrochloride
CID 87789955
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5-bromo-4-(bromomethyl)pent-1-ene
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2-prop-2-enylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylnona-1,8-diene?
The IUPAC name of 5-prop-2-enylnona-1,8-diene (CID 54537373) is 5-prop-2-enylnona-1,8-diene.
What is the SMILES notation for 5-prop-2-enylnona-1,8-diene?
The canonical SMILES for 5-prop-2-enylnona-1,8-diene is C=CCCC(CC=C)CCC=C.
What is the InChIKey of 5-prop-2-enylnona-1,8-diene?
The InChIKey is ZASSKOQYUZECCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-7-10-12(9-6-3)11-8-5-2/h4-6,12H,1-3,7-11H2.
What are the key properties of 5-prop-2-enylnona-1,8-diene?
5-prop-2-enylnona-1,8-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylnona-1,8-diene is sourced from PubChem (CID 54537373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).