4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride

C14H17ClO3 — CID 146455619

IUPAC4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride
SMILESCC1(C)OC(c2ccc(C(=O)Cl)cc2)OC1(C)C
InChIInChI=1S/C14H17ClO3/c1-13(2)14(3,4)18-12(17-13)10-7-5-9(6-8-10)11(15)16/h5-8,12H,1-4H3
InChIKeyITZCQQZLPVZVFY-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.67
Rot. Bonds2

About 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride

4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride (PubChem CID 146455619) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride
PubChem CID146455619
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride
SMILESCC1(C)OC(c2ccc(C(=O)Cl)cc2)OC1(C)C
InChIInChI=1S/C14H17ClO3/c1-13(2)14(3,4)18-12(17-13)10-7-5-9(6-8-10)11(15)16/h5-8,12H,1-4H3
InChIKeyITZCQQZLPVZVFY-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride?
The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride (CID 146455619) is 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride is CC1(C)OC(c2ccc(C(=O)Cl)cc2)OC1(C)C.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride?
The InChIKey is ITZCQQZLPVZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-13(2)14(3,4)18-12(17-13)10-7-5-9(6-8-10)11(15)16/h5-8,12H,1-4H3.
What are the key properties of 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride?
4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride has a molecular weight of 268.74 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)benzoyl chloride is sourced from PubChem (CID 146455619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).