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

C8H14O3 — CID 163515521

IUPAC(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol
SMILESC[C@H]1OC2CO[C@@](C)(C2)C1O
InChIInChI=1S/C8H14O3/c1-5-7(9)8(2)3-6(11-5)4-10-8/h5-7,9H,3-4H2,1-2H3/t5-,6?,7?,8+/m1/s1
InChIKeyDGJOGLARNNKWCZ-CQRKAFIDSA-N
MW158.20 g/mol
LogP0.31
Rot. Bonds

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

(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 163515521) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID163515521
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol
SMILESC[C@H]1OC2CO[C@@](C)(C2)C1O
InChIInChI=1S/C8H14O3/c1-5-7(9)8(2)3-6(11-5)4-10-8/h5-7,9H,3-4H2,1-2H3/t5-,6?,7?,8+/m1/s1
InChIKeyDGJOGLARNNKWCZ-CQRKAFIDSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
CID 89339806
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999
4-ethyl-4,6-dimethyloxane-2,5-diol
CID 90762983
(1R,4S,6S,7S)-1,6-dimethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol
CID 134368416
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol
CID 124635550
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
2,5-dioxabicyclo[2.2.2]octane-1,6-diol
CID 142646090
1-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolan-3-yl]ethanone
CID 57152401
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
CID 22887274
2,5,5-trimethyl-8-oxabicyclo[5.1.0]octan-3-ol
CID 12586523

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol (CID 163515521) is (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol is C[C@H]1OC2CO[C@@](C)(C2)C1O.
What is the InChIKey of (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is DGJOGLARNNKWCZ-CQRKAFIDSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-7(9)8(2)3-6(11-5)4-10-8/h5-7,9H,3-4H2,1-2H3/t5-,6?,7?,8+/m1/s1.
What are the key properties of (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol?
(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 158.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 163515521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).