7,9,9,9-tetrachloronon-1-ene

C9H14Cl4 — CID 71386066

IUPAC7,9,9,9-tetrachloronon-1-ene
SMILESC=CCCCCC(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C9H14Cl4/c1-2-3-4-5-6-8(10)7-9(11,12)13/h2,8H,1,3-7H2
InChIKeyNCZGIPIUIXMFPZ-UHFFFAOYSA-N
MW264.02 g/mol
LogP5.10
Rot. Bonds6

About 7,9,9,9-tetrachloronon-1-ene

7,9,9,9-tetrachloronon-1-ene (PubChem CID 71386066) has the molecular formula C9H14Cl4 and a molecular weight of 264.02 g/mol. Its IUPAC name is 7,9,9,9-tetrachloronon-1-ene.

Molecular Properties

Compound Name7,9,9,9-tetrachloronon-1-ene
PubChem CID71386066
Molecular FormulaC9H14Cl4
Molecular Weight264.02 g/mol
Exact Mass261.98
IUPAC Name7,9,9,9-tetrachloronon-1-ene
SMILESC=CCCCCC(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C9H14Cl4/c1-2-3-4-5-6-8(10)7-9(11,12)13/h2,8H,1,3-7H2
InChIKeyNCZGIPIUIXMFPZ-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.02
LogP ≤ 55.10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 141314878
8-chlorodec-1-ene
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CID 53421412
15,16,16-trimethylheptadec-1-ene
CID 174505406
1-chlorohept-6-enylboronic acid
CID 87720455
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
12-propan-2-yltricosa-1,22-diene
CID 102161324
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
1-chlorohex-5-enyl(dimethyl)silane
CID 175422329
11-bromohenicosa-1,20-diene
CID 102253799
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of 7,9,9,9-tetrachloronon-1-ene?
The IUPAC name of 7,9,9,9-tetrachloronon-1-ene (CID 71386066) is 7,9,9,9-tetrachloronon-1-ene.
What is the SMILES notation for 7,9,9,9-tetrachloronon-1-ene?
The canonical SMILES for 7,9,9,9-tetrachloronon-1-ene is C=CCCCCC(Cl)CC(Cl)(Cl)Cl.
What is the InChIKey of 7,9,9,9-tetrachloronon-1-ene?
The InChIKey is NCZGIPIUIXMFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl4/c1-2-3-4-5-6-8(10)7-9(11,12)13/h2,8H,1,3-7H2.
What are the key properties of 7,9,9,9-tetrachloronon-1-ene?
7,9,9,9-tetrachloronon-1-ene has a molecular weight of 264.02 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,9,9-tetrachloronon-1-ene is sourced from PubChem (CID 71386066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).