(1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol

C10H16O6 — CID 139057014

IUPAC(1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1CO[C@](CO)(O1)[C@H]2O
InChIInChI=1S/C10H16O6/c1-9(2)15-6-5-3-13-10(4-11,14-5)8(12)7(6)16-9/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8+,10-/m1/s1
InChIKeyVHZHPTXPNUYFAG-BCDAVFBBSA-N
MW232.23 g/mol
LogP-1.01
Rot. Bonds1

About (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol

(1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (PubChem CID 139057014) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol.

Molecular Properties

Compound Name(1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
PubChem CID139057014
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1CO[C@](CO)(O1)[C@H]2O
InChIInChI=1S/C10H16O6/c1-9(2)15-6-5-3-13-10(4-11,14-5)8(12)7(6)16-9/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8+,10-/m1/s1
InChIKeyVHZHPTXPNUYFAG-BCDAVFBBSA-N
XLogP-1.01
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol 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

[(1R,2R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
CID 12671322
[(1R,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl]methanol
CID 117066508
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
CID 160933519
(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(trifluoromethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 90365268
(3'aS,4R,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101246367
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 12719660
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797
methyl (3aR,4R,7S,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-carboxylate
CID 102229442
(3aS,6R,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 11095402
(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 12719632
(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11436871
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
The IUPAC name of (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol (CID 139057014) is (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol.
What is the SMILES notation for (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
The canonical SMILES for (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol is CC1(C)O[C@@H]2[C@H](O1)[C@H]1CO[C@](CO)(O1)[C@H]2O.
What is the InChIKey of (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
The InChIKey is VHZHPTXPNUYFAG-BCDAVFBBSA-N. The full InChI is InChI=1S/C10H16O6/c1-9(2)15-6-5-3-13-10(4-11,14-5)8(12)7(6)16-9/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8+,10-/m1/s1.
What are the key properties of (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol?
(1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol has a molecular weight of 232.23 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,8R)-8-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol is sourced from PubChem (CID 139057014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).