ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol

C10H22O2 — CID 144983019

IUPACethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol
SMILESCC.C[C@@H]1[C@@H](O)[C@@H](C)CO[C@H]1C
InChIInChI=1S/C8H16O2.C2H6/c1-5-4-10-7(3)6(2)8(5)9;1-2/h5-9H,4H2,1-3H3;1-2H3/t5-,6-,7-,8-;/m0./s1
InChIKeyQIICXXPMUFWFGZ-YRZDNLMGSA-N
MW174.28 g/mol
LogP2.06
Rot. Bonds

About ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol

ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol (PubChem CID 144983019) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol.

Molecular Properties

Compound Nameethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol
PubChem CID144983019
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol
SMILESCC.C[C@@H]1[C@@H](O)[C@@H](C)CO[C@H]1C
InChIInChI=1S/C8H16O2.C2H6/c1-5-4-10-7(3)6(2)8(5)9;1-2/h5-9H,4H2,1-3H3;1-2H3/t5-,6-,7-,8-;/m0./s1
InChIKeyQIICXXPMUFWFGZ-YRZDNLMGSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
CID 59491822
(2S,3S)-2,3-dimethyloxetane
CID 76764483
4-methoxy-2,5-dimethyloxan-3-ol
CID 57076356
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
4-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 171562837
3,4,5-trimethyloxan-2-ol
CID 23586464

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol?
The IUPAC name of ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol (CID 144983019) is ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol.
What is the SMILES notation for ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol?
The canonical SMILES for ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol is CC.C[C@@H]1[C@@H](O)[C@@H](C)CO[C@H]1C.
What is the InChIKey of ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol?
The InChIKey is QIICXXPMUFWFGZ-YRZDNLMGSA-N. The full InChI is InChI=1S/C8H16O2.C2H6/c1-5-4-10-7(3)6(2)8(5)9;1-2/h5-9H,4H2,1-3H3;1-2H3/t5-,6-,7-,8-;/m0./s1.
What are the key properties of ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol?
ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol has a molecular weight of 174.28 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol is sourced from PubChem (CID 144983019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).