7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one

C10H16O4 — CID 91199109

IUPAC7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one
SMILESCC1(C)CC2CCC(=O)OC2(CO)O1
InChIInChI=1S/C10H16O4/c1-9(2)5-7-3-4-8(12)13-10(7,6-11)14-9/h7,11H,3-6H2,1-2H3
InChIKeyLIVICBQJPREONN-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.83
Rot. Bonds1

About 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one

7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one (PubChem CID 91199109) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one.

Molecular Properties

Compound Name7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one
PubChem CID91199109
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one
SMILESCC1(C)CC2CCC(=O)OC2(CO)O1
InChIInChI=1S/C10H16O4/c1-9(2)5-7-3-4-8(12)13-10(7,6-11)14-9/h7,11H,3-6H2,1-2H3
InChIKeyLIVICBQJPREONN-UHFFFAOYSA-N
XLogP0.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one with MolForge

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Related Compounds

beta-D-Fructofuranosyl-alpha-D-glucopyranoside, monododecanoate
CID 5360776
Sucrose laurate
CID 78387808
2,5-Anhydro-5-(hydroxymethyl)-6-O-tetradecanoylundec-6-ulopyranose
CID 161558
(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
CID 10083252
beta-D-Fructofuranosyl-alpha-D-glucopyranoside monohexadecanoate
CID 5360814
Methyl (3aR,5R,7R,7aS)-hexahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
CID 165341664
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadecanoate
CID 5360773
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] decanoate
CID 169374
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] octanoate
CID 5484222
3-[(3aS,6R)-7-(carboxymethyl)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]propanoic acid
CID 134866360
ethyl 3-[(6R)-6-butyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxyoxan-2-yl]propanoate
CID 134974932
(3R,5S,6S)-6-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyloxan-2-one
CID 135037127

Frequently Asked Questions

What is the IUPAC name of 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one?
The IUPAC name of 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one (CID 91199109) is 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one.
What is the SMILES notation for 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one?
The canonical SMILES for 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one is CC1(C)CC2CCC(=O)OC2(CO)O1.
What is the InChIKey of 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one?
The InChIKey is LIVICBQJPREONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(2)5-7-3-4-8(12)13-10(7,6-11)14-9/h7,11H,3-6H2,1-2H3.
What are the key properties of 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one?
7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one has a molecular weight of 200.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(hydroxymethyl)-2,2-dimethyl-3,3a,4,5-tetrahydrofuro[2,3-b]pyran-6-one is sourced from PubChem (CID 91199109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).