(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C7H12O3 — CID 90963078

IUPAC(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCC1[C@@H]2OCC(C[C@H]1O)O2
InChIInChI=1S/C7H12O3/c1-4-6(8)2-5-3-9-7(4)10-5/h4-8H,2-3H2,1H3/t4?,5?,6-,7-/m1/s1
InChIKeyGKXZTNLSABSXBY-TVVDDFTJSA-N
MW144.17 g/mol
LogP0.13
Rot. Bonds

About (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 90963078) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID90963078
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCC1[C@@H]2OCC(C[C@H]1O)O2
InChIInChI=1S/C7H12O3/c1-4-6(8)2-5-3-9-7(4)10-5/h4-8H,2-3H2,1H3/t4?,5?,6-,7-/m1/s1
InChIKeyGKXZTNLSABSXBY-TVVDDFTJSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
(1S,3S,4R,5R)-3-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 40522782
(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane
CID 142549107
(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
(1S,5R)-3-[(2-methylphenyl)methyl]-6,8-dioxabicyclo[3.2.1]octan-4-ol;1,2-xylene
CID 142549121
(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 10725463
4-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 171562837
(1S,3R,5R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,45R,47R,49R)-5,20,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,45,46,47,49-dodecol
CID 138632309
(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
CID 158449841
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
CID 102162860

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 90963078) is (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is CC1[C@@H]2OCC(C[C@H]1O)O2.
What is the InChIKey of (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is GKXZTNLSABSXBY-TVVDDFTJSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(8)2-5-3-9-7(4)10-5/h4-8H,2-3H2,1H3/t4?,5?,6-,7-/m1/s1.
What are the key properties of (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 144.17 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 90963078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).