2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

C10H12O4 — CID 13164187

IUPAC2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C(C)CC(O)O2
InChIInChI=1S/C10H12O4/c1-5-3-8(11)14-7-4-6(2)13-10(12)9(5)7/h4-5,8,11H,3H2,1-2H3
InChIKeyJTKXBHGSNBVBPI-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.15
Rot. Bonds

About 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 13164187) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID13164187
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C(C)CC(O)O2
InChIInChI=1S/C10H12O4/c1-5-3-8(11)14-7-4-6(2)13-10(12)9(5)7/h4-5,8,11H,3H2,1-2H3
InChIKeyJTKXBHGSNBVBPI-UHFFFAOYSA-N
XLogP1.15
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 163269519
3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 13164183
4-ethyl-2-hydroxy-3,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 21792861
2-ethoxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 21792862
2-(3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl)acetic acid
CID 58695228
1-Hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67789102
1-Hydroxy-7-methyl-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67789268
6-Ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid
CID 74944329
2-[(2R,3E,4S)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 89887634
2-[(3Z)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 101924364
methyl (5E)-4-ethyl-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylate
CID 142847964
(6-Hydroxy-6-methoxyhexyl) 4-propoxycyclohexa-1,3-diene-1-carboxylate
CID 144971658

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 13164187) is 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is Cc1cc2c(c(=O)o1)C(C)CC(O)O2.
What is the InChIKey of 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is JTKXBHGSNBVBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-3-8(11)14-7-4-6(2)13-10(12)9(5)7/h4-5,8,11H,3H2,1-2H3.
What are the key properties of 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 196.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 13164187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).