propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate

C21H22O7 — CID 66977286

IUPACpropan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
SMILESCC(C)OC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OC(C)C
InChIInChI=1S/C21H22O7/c1-13(2)25-19(22)15-9-5-7-11-17(15)27-21(24)28-18-12-8-6-10-16(18)20(23)26-14(3)4/h5-14H,1-4H3
InChIKeyLXKAGOMKNOWWSI-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.39
Rot. Bonds6

About propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate

propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate (PubChem CID 66977286) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
PubChem CID66977286
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Namepropan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
SMILESCC(C)OC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OC(C)C
InChIInChI=1S/C21H22O7/c1-13(2)25-19(22)15-9-5-7-11-17(15)27-21(24)28-18-12-8-6-10-16(18)20(23)26-14(3)4/h5-14H,1-4H3
InChIKeyLXKAGOMKNOWWSI-UHFFFAOYSA-N
XLogP4.39
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(2-propan-2-yloxycarbonylphenyl) (E)-but-2-enedioate
CID 175019361
2-(2-propan-2-yloxycarbonyloxybenzoyl)benzenecarboperoxoic acid
CID 90214669
(2-acetylphenyl) methyl carbonate
CID 14493761
2-acetamido-3-(2-propan-2-yloxycarbonylphenoxy)carbonylsulfanylpropanoic acid
CID 76518373
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
propan-2-yl 2-(16-methylheptadecoxy)benzoate
CID 139715395
(2-pentan-3-yloxycarbonyloxybenzoyl) 2-pentan-3-yloxycarbonyloxybenzenecarboperoxoate
CID 53244290
1-(dimethylamino)ethyl 2-acetyloxybenzoate
CID 21481334
(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
propan-2-yl 2-(2-amino-3,4-dimethylphenoxy)benzoate
CID 153356647
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
1-(diethylamino)ethyl 2-acetyloxybenzoate
CID 3014546

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate?
The IUPAC name of propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate (CID 66977286) is propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate.
What is the SMILES notation for propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate?
The canonical SMILES for propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate is CC(C)OC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate?
The InChIKey is LXKAGOMKNOWWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-13(2)25-19(22)15-9-5-7-11-17(15)27-21(24)28-18-12-8-6-10-16(18)20(23)26-14(3)4/h5-14H,1-4H3.
What are the key properties of propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate?
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate has a molecular weight of 386.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate is sourced from PubChem (CID 66977286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).