methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate

C8H12O4 — CID 142207974

IUPACmethyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate
SMILESCOC(=O)OC1=CCCOC1C
InChIInChI=1S/C8H12O4/c1-6-7(4-3-5-11-6)12-8(9)10-2/h4,6H,3,5H2,1-2H3
InChIKeyQAQFNDGAZFHNPR-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.46
Rot. Bonds1

About methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate

methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate (PubChem CID 142207974) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate.

Molecular Properties

Compound Namemethyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate
PubChem CID142207974
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Namemethyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate
SMILESCOC(=O)OC1=CCCOC1C
InChIInChI=1S/C8H12O4/c1-6-7(4-3-5-11-6)12-8(9)10-2/h4,6H,3,5H2,1-2H3
InChIKeyQAQFNDGAZFHNPR-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
methyl 2-[(6S)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 131844999
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl [4-(oxiran-2-ylmethoxy)thiophen-2-yl] carbonate
CID 88760395
methyl 1,3-dioxolane-2-carboxylate
CID 11815392
methyl 2-methyl-2,5-dihydrothiophene-3-carboxylate
CID 141155495
methyl (5-oxo-2H-pyran-2-yl) carbonate
CID 14474060

Frequently Asked Questions

What is the IUPAC name of methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate?
The IUPAC name of methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate (CID 142207974) is methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate.
What is the SMILES notation for methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate?
The canonical SMILES for methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate is COC(=O)OC1=CCCOC1C.
What is the InChIKey of methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate?
The InChIKey is QAQFNDGAZFHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-6-7(4-3-5-11-6)12-8(9)10-2/h4,6H,3,5H2,1-2H3.
What are the key properties of methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate?
methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate has a molecular weight of 172.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6-methyl-3,6-dihydro-2H-pyran-5-yl) carbonate is sourced from PubChem (CID 142207974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).