(1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one

C11H16O5 — CID 139059518

IUPAC(1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one
SMILESO=C1OC[C@@]2(CO)OC[C@]3(O)CCC[C@]12C3
InChIInChI=1S/C11H16O5/c12-5-11-7-15-8(13)10(11)3-1-2-9(14,4-10)6-16-11/h12,14H,1-7H2/t9-,10-,11+/m0/s1
InChIKeyGYBJGZIFMJQDKB-GARJFASQSA-N
MW228.24 g/mol
LogP-0.40
Rot. Bonds1

About (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one

(1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one (PubChem CID 139059518) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one.

Molecular Properties

Compound Name(1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one
PubChem CID139059518
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one
SMILESO=C1OC[C@@]2(CO)OC[C@]3(O)CCC[C@]12C3
InChIInChI=1S/C11H16O5/c12-5-11-7-15-8(13)10(11)3-1-2-9(14,4-10)6-16-11/h12,14H,1-7H2/t9-,10-,11+/m0/s1
InChIKeyGYBJGZIFMJQDKB-GARJFASQSA-N
XLogP-0.40
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-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

5,7-Bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.0^1.5^]undecan-2-one
CID 11586651
(4R*, 5R*, 7S*)-4-ethyl-4,7-dihidroxy-7-hydroxymethyl-2-oxa-spiro[4.5]decan-1-one
CID 11658796
5,7-Bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
CID 73020744
8-Hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one
CID 91334120
5-(Hydroxymethyl)spiro[6-oxabicyclo[3.2.1]octane-7,1'-cyclopentane]-1-carboxylic acid
CID 91440954
(1R,5R)-5-(hydroxymethyl)spiro[6-oxabicyclo[3.2.1]octane-7,4'-oxane]-1-carboxylic acid
CID 139120347
(1R,5R,7R)-7-ethyl-5-(hydroxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid
CID 139120350
(3aS,4R,6aS,10aR)-3a-hydroxy-4-(hydroxymethyl)-7,7-dimethyl-3,4,5,6,6a,8,9,10-octahydrobenzo[h][2]benzofuran-1-one
CID 175202748
(3aR,4S,7aS)-7a-(hydroxymethyl)-3a-methyl-4-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 10999681
(1R,5S,7R)-5-ethyl-7-(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
CID 11673044
(1S,5S)-spiro[6-oxabicyclo[3.2.1]octane-7,4'-oxane]-1,5-dicarboxylic acid
CID 101237337
Spiro[6-oxabicyclo[3.2.1]octane-7,4'-oxane]-1,5-dicarboxylic acid
CID 101344638

Frequently Asked Questions

What is the IUPAC name of (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one?
The IUPAC name of (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one (CID 139059518) is (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one.
What is the SMILES notation for (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one?
The canonical SMILES for (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one is O=C1OC[C@@]2(CO)OC[C@]3(O)CCC[C@]12C3.
What is the InChIKey of (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one?
The InChIKey is GYBJGZIFMJQDKB-GARJFASQSA-N. The full InChI is InChI=1S/C11H16O5/c12-5-11-7-15-8(13)10(11)3-1-2-9(14,4-10)6-16-11/h12,14H,1-7H2/t9-,10-,11+/m0/s1.
What are the key properties of (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one?
(1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one has a molecular weight of 228.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S)-8-hydroxy-5-(hydroxymethyl)-3,6-dioxatricyclo[6.3.1.01,5]dodecan-2-one is sourced from PubChem (CID 139059518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).