5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene

C10H12Cl2O — CID 139662021

IUPAC5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene
SMILESClCC=CC=COC=CC=CCCl
InChIInChI=1S/C10H12Cl2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-6,9-10H,7-8H2
InChIKeyFVZTUOJQSYDIDY-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.62
Rot. Bonds6

About 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene

5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene (PubChem CID 139662021) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene.

Molecular Properties

Compound Name5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene
PubChem CID139662021
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene
SMILESClCC=CC=COC=CC=CCCl
InChIInChI=1S/C10H12Cl2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-6,9-10H,7-8H2
InChIKeyFVZTUOJQSYDIDY-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
CID 91512187
1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
methyl (2S,4Z,6Z)-8-chloro-2-hydroxyocta-4,6-dienoate
CID 121367179
3-chloroprop-1-enyl-λ2-stannane
CID 174602805
2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene
CID 139662029
[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate
CID 87622234
1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
CID 3371850
4-chlorobut-2-enylphosphane
CID 139994319
1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane
CID 150577918
3-iodo-1-(3-iodoprop-1-enoxy)prop-1-ene
CID 54403525
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
(2Z,4E)-1,3,6-trichlorohexa-2,4-diene
CID 102247627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene?
The IUPAC name of 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene (CID 139662021) is 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene.
What is the SMILES notation for 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene?
The canonical SMILES for 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene is ClCC=CC=COC=CC=CCCl.
What is the InChIKey of 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene?
The InChIKey is FVZTUOJQSYDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-6,9-10H,7-8H2.
What are the key properties of 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene?
5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene has a molecular weight of 219.11 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene is sourced from PubChem (CID 139662021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).