(1E,3E)-1-chloronona-1,3-diene

C9H15Cl — CID 10964790

IUPAC(1E,3E)-1-chloronona-1,3-diene
SMILESCCCCC/C=C/C=C/Cl
InChIInChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeyXPODHYXMGYVFRC-BLHCBFLLSA-N
MW158.67 g/mol
LogP3.88
Rot. Bonds5

About (1E,3E)-1-chloronona-1,3-diene

(1E,3E)-1-chloronona-1,3-diene (PubChem CID 10964790) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is (1E,3E)-1-chloronona-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-chloronona-1,3-diene
PubChem CID10964790
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name(1E,3E)-1-chloronona-1,3-diene
SMILESCCCCC/C=C/C=C/Cl
InChIInChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeyXPODHYXMGYVFRC-BLHCBFLLSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424
(3E)-1-chlorodeca-1,3-diene
CID 177456739
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
(6E)-octadeca-4,6-diene
CID 173243345
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
1-chlorohept-1-ene
CID 520074
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(E)-1-chlorododec-1-ene
CID 6438318
pentadeca-3,5,7,9-tetraene
CID 151958393
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-chloronona-1,3-diene?
The IUPAC name of (1E,3E)-1-chloronona-1,3-diene (CID 10964790) is (1E,3E)-1-chloronona-1,3-diene.
What is the SMILES notation for (1E,3E)-1-chloronona-1,3-diene?
The canonical SMILES for (1E,3E)-1-chloronona-1,3-diene is CCCCC/C=C/C=C/Cl.
What is the InChIKey of (1E,3E)-1-chloronona-1,3-diene?
The InChIKey is XPODHYXMGYVFRC-BLHCBFLLSA-N. The full InChI is InChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+.
What are the key properties of (1E,3E)-1-chloronona-1,3-diene?
(1E,3E)-1-chloronona-1,3-diene has a molecular weight of 158.67 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-chloronona-1,3-diene is sourced from PubChem (CID 10964790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).