(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol

C8H14O3 — CID 131176478

IUPAC(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESC[C@@H]1[C@H](C)[C@H]2CO[C@H](O2)[C@H]1O
InChIInChI=1S/C8H14O3/c1-4-5(2)7(9)8-10-3-6(4)11-8/h4-9H,3H2,1-2H3/t4-,5+,6+,7-,8+/m0/s1
InChIKeyCUVKXQGWUXQLBQ-FMGWEMOISA-N
MW158.20 g/mol
LogP0.37
Rot. Bonds

About (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol

(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 131176478) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID131176478
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESC[C@@H]1[C@H](C)[C@H]2CO[C@H](O2)[C@H]1O
InChIInChI=1S/C8H14O3/c1-4-5(2)7(9)8-10-3-6(4)11-8/h4-9H,3H2,1-2H3/t4-,5+,6+,7-,8+/m0/s1
InChIKeyCUVKXQGWUXQLBQ-FMGWEMOISA-N
XLogP0.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol with MolForge

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Related Compounds

(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
CID 59042905
(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10969136
(1R,2R,3S,4S,5R)-2,3-dichloro-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 130847537
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 4867520
(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 67699212
(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 11254343
N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
CID 57197157
(1S,2S,4R,5S,6R)-7,9-dioxa-3-azatricyclo[4.2.1.02,4]nonan-5-ol
CID 55284858
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 10465447
(1S,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 98453372
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950
(1R,2R,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 13145602

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol (CID 131176478) is (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol is C[C@@H]1[C@H](C)[C@H]2CO[C@H](O2)[C@H]1O.
What is the InChIKey of (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is CUVKXQGWUXQLBQ-FMGWEMOISA-N. The full InChI is InChI=1S/C8H14O3/c1-4-5(2)7(9)8-10-3-6(4)11-8/h4-9H,3H2,1-2H3/t4-,5+,6+,7-,8+/m0/s1.
What are the key properties of (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol?
(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 158.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 131176478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).