(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one

C12H20O3 — CID 134989504

IUPAC(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
SMILESCC(C)C1CC[C@H]2OC(=O)CC[C@]2(C)O1
InChIInChI=1S/C12H20O3/c1-8(2)9-4-5-10-12(3,15-9)7-6-11(13)14-10/h8-10H,4-7H2,1-3H3/t9?,10-,12+/m1/s1
InChIKeyKUKFDUPGLDVCTK-YWTFCRFGSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds1

About (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one

(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one (PubChem CID 134989504) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
PubChem CID134989504
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
SMILESCC(C)C1CC[C@H]2OC(=O)CC[C@]2(C)O1
InChIInChI=1S/C12H20O3/c1-8(2)9-4-5-10-12(3,15-9)7-6-11(13)14-10/h8-10H,4-7H2,1-3H3/t9?,10-,12+/m1/s1
InChIKeyKUKFDUPGLDVCTK-YWTFCRFGSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-Methyl-hexahydro-pyrano[3,2-b]pyran-2-one
CID 551266
8-Methyl-hexahydro-pyrano[3,2-b]pyran-2-one
CID 558894
(4aS,8aS)-4a-methyl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
CID 11829867
(3S,4aS,8aS)-3-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 21602202
(3R,4aS,8aS)-3-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 21602203
(1R,3S,8R,10S,12R)-1-methyl-12-pentyl-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-6-one
CID 101411302
3-Methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 11423807
(4R,5S)-6-ethyl-5-methoxy-3,4-dimethyloxan-2-one
CID 59229546
(4aR,8aR)-3-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 59914928
(4aS,8aR)-3-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 59914929
Ethyl 3,6-bis(1,4-dioxan-2-yl)heptanoate
CID 70214323
Dodecyl 3,6-bis(1,4-dioxan-2-yl)heptanoate
CID 70214331

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one?
The IUPAC name of (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one (CID 134989504) is (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one.
What is the SMILES notation for (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one?
The canonical SMILES for (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one is CC(C)C1CC[C@H]2OC(=O)CC[C@]2(C)O1.
What is the InChIKey of (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one?
The InChIKey is KUKFDUPGLDVCTK-YWTFCRFGSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(2)9-4-5-10-12(3,15-9)7-6-11(13)14-10/h8-10H,4-7H2,1-3H3/t9?,10-,12+/m1/s1.
What are the key properties of (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one?
(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one is sourced from PubChem (CID 134989504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).