7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione

C14H18O4 — CID 139950541

IUPAC7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
SMILESCCCC(C)C1CC(=O)c2c(cc(C)oc2=O)O1
InChIInChI=1S/C14H18O4/c1-4-5-8(2)11-7-10(15)13-12(18-11)6-9(3)17-14(13)16/h6,8,11H,4-5,7H2,1-3H3
InChIKeyKUUAKGAMGWJIQY-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.72
Rot. Bonds3

About 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione

7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione (PubChem CID 139950541) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione.

Molecular Properties

Compound Name7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
PubChem CID139950541
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
SMILESCCCC(C)C1CC(=O)c2c(cc(C)oc2=O)O1
InChIInChI=1S/C14H18O4/c1-4-5-8(2)11-7-10(15)13-12(18-11)6-9(3)17-14(13)16/h6,8,11H,4-5,7H2,1-3H3
InChIKeyKUUAKGAMGWJIQY-UHFFFAOYSA-N
XLogP2.72
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,3R)-5-hydroxy-2,3-dimethyl-6,6-bis(3-methylbut-2-enyl)-4,7-dioxo-2,3-dihydrochromen-8-yl]hexanoic acid
CID 16077643
4H,5H-Pyrano(4,3-b)pyran-4,5-dione, 2,3-dihydro-2,7-dimethyl-
CID 99062
3-[6-[(2,2-Dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl]-7-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4,5-dioxo-2,3-dihydrochromen-8-yl]hexanoic acid
CID 71436710
3-[7-Hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-6-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)-4,5-dioxo-2,3-dihydrochromen-8-yl]hexanoic acid
CID 71436711
(3R,5E,7E,11S,12S,13E,15R,17S,18S,21R,23S,24R,25R)-11-[(2S,3S,4S,8R,9R)-3,9-dimethoxy-4,8-dimethyl-7-oxoundecan-2-yl]-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13-tetraene-9,27-dione
CID 5327031
3-[(2R,3R)-7-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-6-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)-4,5-dioxo-2,3-dihydrochromen-8-yl]hexanoic acid
CID 171351664
3-[(2R,3R)-7-hydroxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,5-dioxo-2,3-dihydrochromen-8-yl]hexanoic acid
CID 171358155
[(2R,8S,8aR)-5-acetyl-3,8-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-2-yl] acetate
CID 102513184
Deoxyradicinin
CID 70957997
2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 54696256
Deoxyradicinin, (+-)-
CID 5366064
(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-11-[(2S,3S,4S,8R,9R)-3,9-dimethoxy-4,8-dimethyl-7-oxoundecan-2-yl]-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaene-9,27-dione
CID 5289285

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
The IUPAC name of 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione (CID 139950541) is 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione.
What is the SMILES notation for 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
The canonical SMILES for 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione is CCCC(C)C1CC(=O)c2c(cc(C)oc2=O)O1.
What is the InChIKey of 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
The InChIKey is KUUAKGAMGWJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-5-8(2)11-7-10(15)13-12(18-11)6-9(3)17-14(13)16/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione has a molecular weight of 250.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-pentan-2-yl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione is sourced from PubChem (CID 139950541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).