3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate

C15H20O7 — CID 70168376

IUPAC3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate
SMILESCC1(C)COC(=O)C1O.COc1ccc(COC(=O)O)cc1
InChIInChI=1S/C9H10O4.C6H10O3/c1-12-8-4-2-7(3-5-8)6-13-9(10)11;1-6(2)3-9-5(8)4(6)7/h2-5H,6H2,1H3,(H,10,11);4,7H,3H2,1-2H3
InChIKeyVYUHRTSVDUJVPT-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.82
Rot. Bonds3

About 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate

3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate (PubChem CID 70168376) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate
PubChem CID70168376
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate
SMILESCC1(C)COC(=O)C1O.COc1ccc(COC(=O)O)cc1
InChIInChI=1S/C9H10O4.C6H10O3/c1-12-8-4-2-7(3-5-8)6-13-9(10)11;1-6(2)3-9-5(8)4(6)7/h2-5H,6H2,1H3,(H,10,11);4,7H,3H2,1-2H3
InChIKeyVYUHRTSVDUJVPT-UHFFFAOYSA-N
XLogP1.82
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
(4-methoxyphenyl)methyl (3aS,4R)-4-methyl-3-oxo-1,3a,5,7a-tetrahydro-2-benzofuran-4-carboxylate
CID 146167038
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
(3R,4S,5S)-6-[bis[(4-methoxyphenyl)methoxy]methylidene]-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 70907910
5-hydroxy-4-[(4-methoxyphenyl)methoxy]-2,6,6-trimethylcyclohept-2-en-1-one
CID 22922331
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
CID 159308487
(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
CID 90285225

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate?
The IUPAC name of 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate (CID 70168376) is 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate.
What is the SMILES notation for 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate?
The canonical SMILES for 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate is CC1(C)COC(=O)C1O.COc1ccc(COC(=O)O)cc1.
What is the InChIKey of 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate?
The InChIKey is VYUHRTSVDUJVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C6H10O3/c1-12-8-4-2-7(3-5-8)6-13-9(10)11;1-6(2)3-9-5(8)4(6)7/h2-5H,6H2,1H3,(H,10,11);4,7H,3H2,1-2H3.
What are the key properties of 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate?
3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate has a molecular weight of 312.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate is sourced from PubChem (CID 70168376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).