6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one

C10H16O5 — CID 10560655

IUPAC6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one
SMILESCC1(O)C(O)CC2C(CO)COC(=O)C21
InChIInChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3
InChIKeyCCTSZLOYMHLMHP-UHFFFAOYSA-N
MW216.23 g/mol
LogP-1.10
Rot. Bonds1

About 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one

6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one (PubChem CID 10560655) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one.

Molecular Properties

Compound Name6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one
PubChem CID10560655
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one
SMILESCC1(O)C(O)CC2C(CO)COC(=O)C21
InChIInChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3
InChIKeyCCTSZLOYMHLMHP-UHFFFAOYSA-N
XLogP-1.10
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one with MolForge

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Related Compounds

(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
CID 131176445
(4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-methylidene-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-one
CID 46211034
(3R,4R)-3-amino-4-(hydroxymethyl)oxolan-2-one
CID 146155024
(3S,4S)-3-butanoyl-4-(hydroxymethyl)oxolan-2-one
CID 23256733
4-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,7]decan-8-one
CID 75149685
(3aR,5S,6R,6aS)-5-hydroxy-6-(hydroxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11041169
5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 130142453
(3R,4R)-4-(hydroxymethyl)-3-(5-methylhexanoyl)oxolan-2-one
CID 15109416
(3aR,4S,5aS,9aS,9bS)-4-hydroxy-6,6,9a-trimethyl-3a,4,5,5a,7,8,9,9b-octahydro-3H-benzo[g][2]benzofuran-1-one
CID 163067020
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one?
The IUPAC name of 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one (CID 10560655) is 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one.
What is the SMILES notation for 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one?
The canonical SMILES for 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one is CC1(O)C(O)CC2C(CO)COC(=O)C21.
What is the InChIKey of 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one?
The InChIKey is CCTSZLOYMHLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(14)7(12)2-6-5(3-11)4-15-9(13)8(6)10/h5-8,11-12,14H,2-4H2,1H3.
What are the key properties of 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one?
6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one has a molecular weight of 216.23 g/mol, XLogP of -1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one is sourced from PubChem (CID 10560655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).