(1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol

C10H18O3 — CID 134986728

IUPAC(1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol
SMILESCC[C@@]12O[C@H](C)C[C@@](C)(C[C@H]1O)O2
InChIInChI=1S/C10H18O3/c1-4-10-8(11)6-9(3,13-10)5-7(2)12-10/h7-8,11H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKeyBGHWICMRKIZVGE-IMSYWVGJSA-N
MW186.25 g/mol
LogP1.44
Rot. Bonds1

About (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol

(1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol (PubChem CID 134986728) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol.

Molecular Properties

Compound Name(1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol
PubChem CID134986728
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol
SMILESCC[C@@]12O[C@H](C)C[C@@](C)(C[C@H]1O)O2
InChIInChI=1S/C10H18O3/c1-4-10-8(11)6-9(3,13-10)5-7(2)12-10/h7-8,11H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKeyBGHWICMRKIZVGE-IMSYWVGJSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol with MolForge

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Related Compounds

(1R)-1-[(1R,5R,7R)-5-methyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]ethanol
CID 11693974
Okaspirodiol
CID 16086659
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
CID 85225480
5-Hydroxymethyl-7-isopropoxy-6-oxa-bicyclo[3.2.2]nonane-1,8,9-triol
CID 24752824
12-deoxy-4-C-(D-altro-5,7,8,9-tetrahydroxyhexyl))-3-O-methyl-D-galactopyranose
CID 139591154
Caryophyllan
CID 139583797
5,7,7-Trimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 332313
(2S,3R,4S,5S,6S)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
CID 57147822
(2S,3R,4S,5S,6S)-6-[[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-hydroxymethyl]oxane-2,3,4,5-tetrol
CID 90951205
3-d-Galactopyranosyl-d-fructo-furanose
CID 129720455
(3R,4S,5R)-2-dodecyl-3-octyloxane-2,3,4,5-tetrol
CID 145736877
(1R,2R,5S,7R)-7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 10910022

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
The IUPAC name of (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol (CID 134986728) is (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol.
What is the SMILES notation for (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
The canonical SMILES for (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol is CC[C@@]12O[C@H](C)C[C@@](C)(C[C@H]1O)O2.
What is the InChIKey of (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
The InChIKey is BGHWICMRKIZVGE-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10-8(11)6-9(3,13-10)5-7(2)12-10/h7-8,11H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
(1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol has a molecular weight of 186.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R,7R)-1-ethyl-3,5-dimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol is sourced from PubChem (CID 134986728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).