(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate

C15H22O4 — CID 20654498

IUPAC(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(C)(C)COC)cc1
InChIInChI=1S/C15H22O4/c1-15(2,10-18-4)11-19-14(16)13-7-5-12(6-8-13)9-17-3/h5-8H,9-11H2,1-4H3
InChIKeyVREOJZZWFQWTBI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.66
Rot. Bonds7

About (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate

(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate (PubChem CID 20654498) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate
PubChem CID20654498
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(C)(C)COC)cc1
InChIInChI=1S/C15H22O4/c1-15(2,10-18-4)11-19-14(16)13-7-5-12(6-8-13)9-17-3/h5-8H,9-11H2,1-4H3
InChIKeyVREOJZZWFQWTBI-UHFFFAOYSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate;2-methoxyethyl 4-(methoxymethyl)benzoate;3-methoxypropyl 4-(methoxymethyl)benzoate
CID 160601943
(3-methoxy-2,2-dimethylpropyl) 4-methylbenzoate
CID 141227956
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
4-O-[3-[ethoxy-[3-[4-(3-methoxy-2,2-dimethylpropoxy)carbonylbenzoyl]oxy-2,2-dimethylpropoxy]phosphoryl]oxy-2,2-dimethylpropyl] 1-O-(3-hydroxy-2,2-dimethylpropyl) benzene-1,4-dicarboxylate
CID 21350518
4-[3-(4-carboxybenzoyl)oxy-2,2-dimethylpropoxy]carbonylbenzoate
CID 22561503
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
2,2-dimethylpropyl 4-bromobenzoate
CID 11054767
[3-[4-(2,2-dimethylpropanoyl)benzoyl]oxy-2,2-bis[[4-(2,2-dimethylpropanoyl)benzoyl]oxymethyl]propyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10843367
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892
3-[3-(3-methoxy-2,2-dimethylpropanoyl)oxy-2,2-dimethylpropoxy]carbonyl-5-[3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-3-oxopropoxy]carbonylbenzoic acid
CID 121474293
ethyl 4-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353221
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate?
The IUPAC name of (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate (CID 20654498) is (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate.
What is the SMILES notation for (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate?
The canonical SMILES for (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OCC(C)(C)COC)cc1.
What is the InChIKey of (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate?
The InChIKey is VREOJZZWFQWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,10-18-4)11-19-14(16)13-7-5-12(6-8-13)9-17-3/h5-8H,9-11H2,1-4H3.
What are the key properties of (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate?
(3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate has a molecular weight of 266.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,2-dimethylpropyl) 4-(methoxymethyl)benzoate is sourced from PubChem (CID 20654498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).