[(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol

C10H18O2 — CID 10583294

IUPAC[(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol
SMILESCC1(C)[C@H]2CC[C@H](CO)[C@@H]1CO2
InChIInChI=1S/C10H18O2/c1-10(2)8-6-12-9(10)4-3-7(8)5-11/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyZHWXNQQJSMDSJI-HRDYMLBCSA-N
MW170.25 g/mol
LogP1.43
Rot. Bonds1

About [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol

[(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol (PubChem CID 10583294) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol
PubChem CID10583294
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol
SMILESCC1(C)[C@H]2CC[C@H](CO)[C@@H]1CO2
InChIInChI=1S/C10H18O2/c1-10(2)8-6-12-9(10)4-3-7(8)5-11/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyZHWXNQQJSMDSJI-HRDYMLBCSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
(7-ethyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol
CID 174794859
[(1S,3R)-1,3-dimethyl-2-bicyclo[1.1.0]butanyl]methanol
CID 130694554
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
(1R,2S,4R,6R,9S,10R)-9-(hydroxymethyl)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-2-ol
CID 102186301
[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66876307
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
[4-[hydroxy(dimethyl)silyl]-2-(hydroxymethyl)cyclohexyl]methanol
CID 163883462
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol?
The IUPAC name of [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol (CID 10583294) is [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol.
What is the SMILES notation for [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol?
The canonical SMILES for [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol is CC1(C)[C@H]2CC[C@H](CO)[C@@H]1CO2.
What is the InChIKey of [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol?
The InChIKey is ZHWXNQQJSMDSJI-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2)8-6-12-9(10)4-3-7(8)5-11/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1.
What are the key properties of [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol?
[(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5R)-8,8-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]methanol is sourced from PubChem (CID 10583294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).