(2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C18H16BrClO — CID 59770491

IUPAC(2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCOC/C(Br)=C1\c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C18H16BrClO/c1-21-11-17(19)18-15-5-3-2-4-12(15)6-7-13-10-14(20)8-9-16(13)18/h2-5,8-10H,6-7,11H2,1H3/b18-17-
InChIKeyKNYBUJOCDBNHJH-ZCXUNETKSA-N
MW363.68 g/mol
LogP5.24
Rot. Bonds2

About (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

(2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 59770491) has the molecular formula C18H16BrClO and a molecular weight of 363.68 g/mol. Its IUPAC name is (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name(2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID59770491
Molecular FormulaC18H16BrClO
Molecular Weight363.68 g/mol
Exact Mass362.01
IUPAC Name(2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESCOC/C(Br)=C1\c2ccccc2CCc2cc(Cl)ccc21
InChIInChI=1S/C18H16BrClO/c1-21-11-17(19)18-15-5-3-2-4-12(15)6-7-13-10-14(20)8-9-16(13)18/h2-5,8-10H,6-7,11H2,1H3/b18-17-
InChIKeyKNYBUJOCDBNHJH-ZCXUNETKSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.68
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 59770491) is (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is COC/C(Br)=C1\c2ccccc2CCc2cc(Cl)ccc21.
What is the InChIKey of (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is KNYBUJOCDBNHJH-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H16BrClO/c1-21-11-17(19)18-15-5-3-2-4-12(15)6-7-13-10-14(20)8-9-16(13)18/h2-5,8-10H,6-7,11H2,1H3/b18-17-.
What are the key properties of (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
(2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 363.68 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-bromo-2-methoxyethylidene)-6-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59770491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).