(5Z,7E)-8-chloronona-1,5,7-triene

C9H13Cl — CID 142147168

IUPAC(5Z,7E)-8-chloronona-1,5,7-triene
SMILESC=CCC/C=C\C=C(/C)Cl
InChIInChI=1S/C9H13Cl/c1-3-4-5-6-7-8-9(2)10/h3,6-8H,1,4-5H2,2H3/b7-6-,9-8+
InChIKeyNVEVSHHFXIWIOD-NMMTYZSQSA-N
MW156.66 g/mol
LogP3.65
Rot. Bonds4

About (5Z,7E)-8-chloronona-1,5,7-triene

(5Z,7E)-8-chloronona-1,5,7-triene (PubChem CID 142147168) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is (5Z,7E)-8-chloronona-1,5,7-triene.

Molecular Properties

Compound Name(5Z,7E)-8-chloronona-1,5,7-triene
PubChem CID142147168
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name(5Z,7E)-8-chloronona-1,5,7-triene
SMILESC=CCC/C=C\C=C(/C)Cl
InChIInChI=1S/C9H13Cl/c1-3-4-5-6-7-8-9(2)10/h3,6-8H,1,4-5H2,2H3/b7-6-,9-8+
InChIKeyNVEVSHHFXIWIOD-NMMTYZSQSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 53.65
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
CID 88940379
(5E)-deca-1,5,9-triene
CID 5362636
(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine
CID 131976740
10-methylundeca-1,5,9-triene
CID 71330376
methyl (4Z,6E)-7-chloroocta-4,6-dienoate
CID 131856006
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
2-methyldeca-1,5,9-triene
CID 163214311
1-fluorohexa-1,5-diene
CID 154126554
tetradeca-1,5,7-triene
CID 174048281
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
3-methylnona-1,3,5-triene
CID 154088357
(4E,8E)-2-methyldeca-2,4,8-triene
CID 173142496

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-8-chloronona-1,5,7-triene?
The IUPAC name of (5Z,7E)-8-chloronona-1,5,7-triene (CID 142147168) is (5Z,7E)-8-chloronona-1,5,7-triene.
What is the SMILES notation for (5Z,7E)-8-chloronona-1,5,7-triene?
The canonical SMILES for (5Z,7E)-8-chloronona-1,5,7-triene is C=CCC/C=C\C=C(/C)Cl.
What is the InChIKey of (5Z,7E)-8-chloronona-1,5,7-triene?
The InChIKey is NVEVSHHFXIWIOD-NMMTYZSQSA-N. The full InChI is InChI=1S/C9H13Cl/c1-3-4-5-6-7-8-9(2)10/h3,6-8H,1,4-5H2,2H3/b7-6-,9-8+.
What are the key properties of (5Z,7E)-8-chloronona-1,5,7-triene?
(5Z,7E)-8-chloronona-1,5,7-triene has a molecular weight of 156.66 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-8-chloronona-1,5,7-triene is sourced from PubChem (CID 142147168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).