ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol

C9H20O3 — CID 144590904

IUPACethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol
SMILESCC.CO[C@@H]1CC[C@@H](C)O[C@H]1O
InChIInChI=1S/C7H14O3.C2H6/c1-5-3-4-6(9-2)7(8)10-5;1-2/h5-8H,3-4H2,1-2H3;1-2H3/t5-,6-,7-;/m1./s1
InChIKeyRDEZBUCMDQIWRZ-RYLOHDEPSA-N
MW176.26 g/mol
LogP1.54
Rot. Bonds1

About ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol

ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol (PubChem CID 144590904) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol.

Molecular Properties

Compound Nameethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol
PubChem CID144590904
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol
SMILESCC.CO[C@@H]1CC[C@@H](C)O[C@H]1O
InChIInChI=1S/C7H14O3.C2H6/c1-5-3-4-6(9-2)7(8)10-5;1-2/h5-8H,3-4H2,1-2H3;1-2H3/t5-,6-,7-;/m1./s1
InChIKeyRDEZBUCMDQIWRZ-RYLOHDEPSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2,3-dimethoxy-6-methyloxane
CID 143625377
(2R,4R)-3,4-dimethoxy-6-methyloxan-2-ol
CID 129044548
(2R,3S,6R)-6-methyloxane-2,3-diol
CID 101435128
(5R)-2-methoxy-5-methyloxolane
CID 70228275
(2S)-2,5-dimethyloxolane
CID 118613003
(2R,5S)-5-methyloxolan-2-ol
CID 23253384
3,6-dimethoxy-2-methyloxane;ethane
CID 145337988
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate
CID 142045986
(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
CID 130927435
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
CID 142172396

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol?
The IUPAC name of ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol (CID 144590904) is ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol.
What is the SMILES notation for ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol?
The canonical SMILES for ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol is CC.CO[C@@H]1CC[C@@H](C)O[C@H]1O.
What is the InChIKey of ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol?
The InChIKey is RDEZBUCMDQIWRZ-RYLOHDEPSA-N. The full InChI is InChI=1S/C7H14O3.C2H6/c1-5-3-4-6(9-2)7(8)10-5;1-2/h5-8H,3-4H2,1-2H3;1-2H3/t5-,6-,7-;/m1./s1.
What are the key properties of ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol?
ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol is sourced from PubChem (CID 144590904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).