(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene

C11H14Cl2 — CID 140974999

IUPAC(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene
SMILESC/C=C1\C(C)=C(C)C(C)=C1C(Cl)Cl
InChIInChI=1S/C11H14Cl2/c1-5-9-7(3)6(2)8(4)10(9)11(12)13/h5,11H,1-4H3/b9-5+
InChIKeyAAGYKIWAEOKGEE-WEVVVXLNSA-N
MW217.14 g/mol
LogP4.40
Rot. Bonds1

About (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene

(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene (PubChem CID 140974999) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene
PubChem CID140974999
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene
SMILESC/C=C1\C(C)=C(C)C(C)=C1C(Cl)Cl
InChIInChI=1S/C11H14Cl2/c1-5-9-7(3)6(2)8(4)10(9)11(12)13/h5,11H,1-4H3/b9-5+
InChIKeyAAGYKIWAEOKGEE-WEVVVXLNSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
(2z)-1,6-Dichloro-3-chloromethyl-7-methylocta-2,6-diene
CID 129698454
2-Chloro-3-(chloromethylene)cyclopentene
CID 129812606
1,8-Dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 71336638
(2E,4E)-5-Chloro-3,4-dimethyl-2,4-heptadiene
CID 5466629
5-Chloro-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 12187271
1,3-Dichloro-2-propylcyclohexa-1,3-diene
CID 19775355
5,7,7,7-Tetrachloro-2-methyl-2-heptene
CID 20444567
(Z)-6-chloro-3-methyl-4-methylidenehex-2-ene
CID 59891141
(3R)-3-chloro-5-(dichloromethylidene)cyclopentene
CID 68006617
(3S)-3-chloro-5-(dichloromethylidene)cyclopentene
CID 68006620
1,5-Dichloro-4-methylcyclohexa-1,3-diene
CID 68585595

Frequently Asked Questions

What is the IUPAC name of (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene?
The IUPAC name of (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene (CID 140974999) is (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene?
The canonical SMILES for (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene is C/C=C1\C(C)=C(C)C(C)=C1C(Cl)Cl.
What is the InChIKey of (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene?
The InChIKey is AAGYKIWAEOKGEE-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-5-9-7(3)6(2)8(4)10(9)11(12)13/h5,11H,1-4H3/b9-5+.
What are the key properties of (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene?
(5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene has a molecular weight of 217.14 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(dichloromethyl)-5-ethylidene-2,3,4-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 140974999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).