8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one

C9H14O3 — CID 558894

IUPAC8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one
SMILESCC1CCOC2CCC(=O)OC12
InChIInChI=1S/C9H14O3/c1-6-4-5-11-7-2-3-8(10)12-9(6)7/h6-7,9H,2-5H2,1H3
InChIKeyLBPJJSOROFASKM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds

About 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one

8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one (PubChem CID 558894) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one.

Molecular Properties

Compound Name8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one
PubChem CID558894
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one
SMILESCC1CCOC2CCC(=O)OC12
InChIInChI=1S/C9H14O3/c1-6-4-5-11-7-2-3-8(10)12-9(6)7/h6-7,9H,2-5H2,1H3
InChIKeyLBPJJSOROFASKM-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-Methyloctahydrocoumarin
CID 565323
(4aS,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 44294801
4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one
CID 551255
(4aR,8aR)-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one
CID 22214041
(4aS,8aR)-4a-methyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-one
CID 134989504
3-(2-Oxopropyl)-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 135002621
Octahydro-1-isopropyl-3H-2-benzopyran-3-one
CID 25079283
3-Methyl-hexahydro-pyrano[3,2-b]pyran-2-one
CID 551266
(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
Pyrano[3,2-b]pyran-2(3H)-one, hexahydro-, cis-
CID 91695606

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one?
The IUPAC name of 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one (CID 558894) is 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one.
What is the SMILES notation for 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one?
The canonical SMILES for 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one is CC1CCOC2CCC(=O)OC12.
What is the InChIKey of 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one?
The InChIKey is LBPJJSOROFASKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-4-5-11-7-2-3-8(10)12-9(6)7/h6-7,9H,2-5H2,1H3.
What are the key properties of 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one?
8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-one is sourced from PubChem (CID 558894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).