1-chloro-9-iodonona-2,7-diene

C9H14ClI — CID 74322498

IUPAC1-chloro-9-iodonona-2,7-diene
SMILESClCC=CCCCC=CCI
InChIInChI=1S/C9H14ClI/c10-8-6-4-2-1-3-5-7-9-11/h4-7H,1-3,8-9H2
InChIKeyRQUGVXOVXBTLPX-UHFFFAOYSA-N
MW284.57 g/mol
LogP3.94
Rot. Bonds6

About 1-chloro-9-iodonona-2,7-diene

1-chloro-9-iodonona-2,7-diene (PubChem CID 74322498) has the molecular formula C9H14ClI and a molecular weight of 284.57 g/mol. Its IUPAC name is 1-chloro-9-iodonona-2,7-diene.

Molecular Properties

Compound Name1-chloro-9-iodonona-2,7-diene
PubChem CID74322498
Molecular FormulaC9H14ClI
Molecular Weight284.57 g/mol
Exact Mass283.98
IUPAC Name1-chloro-9-iodonona-2,7-diene
SMILESClCC=CCCCC=CCI
InChIInChI=1S/C9H14ClI/c10-8-6-4-2-1-3-5-7-9-11/h4-7H,1-3,8-9H2
InChIKeyRQUGVXOVXBTLPX-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-12-iodododec-2-ene
CID 171472192
1-bromo-9-iodonona-2,7-diene
CID 74322499
1,12-dichlorododec-2-ene
CID 171472140
6-bromo-1-chlorohex-2-ene
CID 171472345
1-chlorotritriacont-2-ene
CID 173457844
1-bromo-12-chlorododeca-2,10-diene
CID 74322485
(E)-1-iodopentadec-2-ene
CID 11099754
9-bromo-1-iodonon-2-ene
CID 171472261
1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
CID 3371850
(E)-1-iodo-7-methyloct-2-ene
CID 139749748
(Z)-7-iodohept-5-enoic acid
CID 88643089
(1E,5E)-1,7-dichlorohepta-1,5-diene
CID 55303187

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9-iodonona-2,7-diene?
The IUPAC name of 1-chloro-9-iodonona-2,7-diene (CID 74322498) is 1-chloro-9-iodonona-2,7-diene.
What is the SMILES notation for 1-chloro-9-iodonona-2,7-diene?
The canonical SMILES for 1-chloro-9-iodonona-2,7-diene is ClCC=CCCCC=CCI.
What is the InChIKey of 1-chloro-9-iodonona-2,7-diene?
The InChIKey is RQUGVXOVXBTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClI/c10-8-6-4-2-1-3-5-7-9-11/h4-7H,1-3,8-9H2.
What are the key properties of 1-chloro-9-iodonona-2,7-diene?
1-chloro-9-iodonona-2,7-diene has a molecular weight of 284.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9-iodonona-2,7-diene is sourced from PubChem (CID 74322498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).