(2S,3R)-2-ethyloxan-3-ol

C7H14O2 — CID 101188955

IUPAC(2S,3R)-2-ethyloxan-3-ol
SMILESCC[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C7H14O2/c1-2-7-6(8)4-3-5-9-7/h6-8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyDTUPNHIBRRAZHZ-RQJHMYQMSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds1

About (2S,3R)-2-ethyloxan-3-ol

(2S,3R)-2-ethyloxan-3-ol (PubChem CID 101188955) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S,3R)-2-ethyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-ethyloxan-3-ol
PubChem CID101188955
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S,3R)-2-ethyloxan-3-ol
SMILESCC[C@@H]1OCCC[C@H]1O
InChIInChI=1S/C7H14O2/c1-2-7-6(8)4-3-5-9-7/h6-8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyDTUPNHIBRRAZHZ-RQJHMYQMSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-3-methyloxane
CID 166536348
(2S,3R)-2-prop-2-enyloxan-3-ol
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CID 10888666
(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol
CID 100946621
3-ethyl-1,4-dioxan-2-ol
CID 175384665
(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
CID 130638177
(2R)-2-ethyloxolane
CID 641529
(Z,4R)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
CID 135029005
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
CID 176704836
2-methoxyoxan-3-ol;propan-1-ol
CID 145057675
(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one
CID 10846957
3-[(2R,3S)-3-hydroxyoxan-2-yl]propyl 2,2-dimethylpropanoate
CID 15785513

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyloxan-3-ol?
The IUPAC name of (2S,3R)-2-ethyloxan-3-ol (CID 101188955) is (2S,3R)-2-ethyloxan-3-ol.
What is the SMILES notation for (2S,3R)-2-ethyloxan-3-ol?
The canonical SMILES for (2S,3R)-2-ethyloxan-3-ol is CC[C@@H]1OCCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-ethyloxan-3-ol?
The InChIKey is DTUPNHIBRRAZHZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-7-6(8)4-3-5-9-7/h6-8H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-ethyloxan-3-ol?
(2S,3R)-2-ethyloxan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyloxan-3-ol is sourced from PubChem (CID 101188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).