[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol

C12H22O3 — CID 57379413

IUPAC[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
SMILESCC1OC(C)(C)O[C@H](CO)[C@@]2(C)CC[C@@H]12
InChIInChI=1S/C12H22O3/c1-8-9-5-6-12(9,4)10(7-13)15-11(2,3)14-8/h8-10,13H,5-7H2,1-4H3/t8?,9-,10+,12-/m0/s1
InChIKeyRCNGWICUJZWECV-NHTRTPJGSA-N
MW214.30 g/mol
LogP1.93
Rot. Bonds1

About [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol

[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol (PubChem CID 57379413) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
PubChem CID57379413
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
SMILESCC1OC(C)(C)O[C@H](CO)[C@@]2(C)CC[C@@H]12
InChIInChI=1S/C12H22O3/c1-8-9-5-6-12(9,4)10(7-13)15-11(2,3)14-8/h8-10,13H,5-7H2,1-4H3/t8?,9-,10+,12-/m0/s1
InChIKeyRCNGWICUJZWECV-NHTRTPJGSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol 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

[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 10678820
(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol
CID 130149210
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
CID 22887044
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol
CID 166127175
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
(1-methyl-6-bicyclo[3.1.0]hexanyl)methanol
CID 67940107
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
[(3aR,6aR)-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopropane]-6-yl]methanol
CID 163895741

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol?
The IUPAC name of [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol (CID 57379413) is [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol.
What is the SMILES notation for [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol?
The canonical SMILES for [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol is CC1OC(C)(C)O[C@H](CO)[C@@]2(C)CC[C@@H]12.
What is the InChIKey of [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol?
The InChIKey is RCNGWICUJZWECV-NHTRTPJGSA-N. The full InChI is InChI=1S/C12H22O3/c1-8-9-5-6-12(9,4)10(7-13)15-11(2,3)14-8/h8-10,13H,5-7H2,1-4H3/t8?,9-,10+,12-/m0/s1.
What are the key properties of [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol?
[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol has a molecular weight of 214.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol is sourced from PubChem (CID 57379413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).