2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one

C16H22O3 — CID 53389372

IUPAC2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one
SMILESCCCCC1Oc2cc(C)oc(=O)c2C=C1CCC
InChIInChI=1S/C16H22O3/c1-4-6-8-14-12(7-5-2)10-13-15(19-14)9-11(3)18-16(13)17/h9-10,14H,4-8H2,1-3H3
InChIKeyPLMRYDPSKUJQHM-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.08
Rot. Bonds5

About 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one

2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 53389372) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one
PubChem CID53389372
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one
SMILESCCCCC1Oc2cc(C)oc(=O)c2C=C1CCC
InChIInChI=1S/C16H22O3/c1-4-6-8-14-12(7-5-2)10-13-15(19-14)9-11(3)18-16(13)17/h9-10,14H,4-8H2,1-3H3
InChIKeyPLMRYDPSKUJQHM-UHFFFAOYSA-N
XLogP4.08
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyloxiran-2-one
CID 18762090
3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one
CID 58429912
(1R,2S)-2-butyl-7'-methylspiro[cyclohexane-1,2'-pyrano[4,3-b]pyran]-5'-one
CID 101088163
3-decyl-4-hydroxy-6-methylpyran-2-one
CID 86101794
(7S)-7-(1-aminopropan-2-yl)-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 118049275
4-[(E)-hex-1-enyl]-6-methylpyran-2-one
CID 11389915
(2R)-2-butyl-6-(4-octoxyphenyl)-1,4-benzodioxin-3-one
CID 67876187
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
(2R)-2-butyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride
CID 129418539
3-hexanoyl-4-hydroxy-6-methylpyran-2-one
CID 54721834
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875
5-butyl-2-(2-chlorophenyl)-1,3-oxazol-4-one
CID 102525461

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one (CID 53389372) is 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one is CCCCC1Oc2cc(C)oc(=O)c2C=C1CCC.
What is the InChIKey of 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is PLMRYDPSKUJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-6-8-14-12(7-5-2)10-13-15(19-14)9-11(3)18-16(13)17/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one?
2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 262.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-methyl-3-propyl-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 53389372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).