2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride

C12H11ClO — CID 155390015

IUPAC2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride
SMILESO=C(Cl)Cc1c2c(cc3c1CC3)CC2
InChIInChI=1S/C12H11ClO/c13-12(14)6-11-9-3-1-7(9)5-8-2-4-10(8)11/h5H,1-4,6H2
InChIKeyVXPXHFRSWYCPCK-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.19
Rot. Bonds2

About 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride

2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride (PubChem CID 155390015) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride.

Molecular Properties

Compound Name2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride
PubChem CID155390015
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride
SMILESO=C(Cl)Cc1c2c(cc3c1CC3)CC2
InChIInChI=1S/C12H11ClO/c13-12(14)6-11-9-3-1-7(9)5-8-2-4-10(8)11/h5H,1-4,6H2
InChIKeyVXPXHFRSWYCPCK-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
CID 175793204
2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene
CID 12507989
2-(4-acetylphenyl)acetyl chloride
CID 19746515
N-[amino-[[1-(2-hydroxypropan-2-yl)cyclopropyl]methyl]-oxo-λ6-sulfanylidene]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 165015685
3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)acetamide
CID 146570552
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
(E)-but-2-enedioic acid;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxy)-N-methylmethanamine
CID 6446883
8-bromo-3,4-dihydro-1H-naphthalen-2-one;2-(2-bromophenyl)acetyl chloride
CID 159949584
2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
CID 12051709
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[(2R)-pyrrolidin-2-yl]ethenyl]sulfonylpropan-2-one
CID 165052131

Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride?
The IUPAC name of 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride (CID 155390015) is 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride.
What is the SMILES notation for 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride?
The canonical SMILES for 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride is O=C(Cl)Cc1c2c(cc3c1CC3)CC2.
What is the InChIKey of 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride?
The InChIKey is VXPXHFRSWYCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c13-12(14)6-11-9-3-1-7(9)5-8-2-4-10(8)11/h5H,1-4,6H2.
What are the key properties of 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride?
2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride has a molecular weight of 206.67 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)acetyl chloride is sourced from PubChem (CID 155390015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).