(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol

C7H14O3 — CID 66553643

IUPAC(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
SMILESCO[C@@H]1CCO[C@@H](C)[C@@H]1O
InChIInChI=1S/C7H14O3/c1-5-7(8)6(9-2)3-4-10-5/h5-8H,3-4H2,1-2H3/t5-,6+,7-/m0/s1
InChIKeyZMUHYSPNIHBNDQ-XVMARJQXSA-N
MW146.19 g/mol
LogP0.17
Rot. Bonds1

About (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol

(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol (PubChem CID 66553643) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
PubChem CID66553643
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
SMILESCO[C@@H]1CCO[C@@H](C)[C@@H]1O
InChIInChI=1S/C7H14O3/c1-5-7(8)6(9-2)3-4-10-5/h5-8H,3-4H2,1-2H3/t5-,6+,7-/m0/s1
InChIKeyZMUHYSPNIHBNDQ-XVMARJQXSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 64960
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CID 11229094
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CID 7524
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CID 445184
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CID 444915
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CID 445257
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CID 445914
CID 445914
CID 447053
CID 447053
CID 219984
CID 219984
CID 5324484
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CID 150967
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CID 13023573
CID 13023573

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol?
The IUPAC name of (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol (CID 66553643) is (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol?
The canonical SMILES for (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol is CO[C@@H]1CCO[C@@H](C)[C@@H]1O.
What is the InChIKey of (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol?
The InChIKey is ZMUHYSPNIHBNDQ-XVMARJQXSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-7(8)6(9-2)3-4-10-5/h5-8H,3-4H2,1-2H3/t5-,6+,7-/m0/s1.
What are the key properties of (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol?
(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol has a molecular weight of 146.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 66553643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).