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

C6H14O2 — CID 13427568

IUPAC(2R,3S)-2-methoxypentan-3-ol
SMILESCC[C@H](O)[C@@H](C)OC
InChIInChI=1S/C6H14O2/c1-4-6(7)5(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyXIRSUXFZVLKHKX-RITPCOANSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds3

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

(2R,3S)-2-methoxypentan-3-ol (PubChem CID 13427568) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (2R,3S)-2-methoxypentan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-methoxypentan-3-ol
PubChem CID13427568
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(2R,3S)-2-methoxypentan-3-ol
SMILESCC[C@H](O)[C@@H](C)OC
InChIInChI=1S/C6H14O2/c1-4-6(7)5(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyXIRSUXFZVLKHKX-RITPCOANSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
5-hydroxy-6-methoxyheptan-3-one
CID 22372350
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
triethyl(1-methoxyethyl)phosphanium
CID 23415371
2-methoxyhept-5-yn-3-ol
CID 79617738
5-methylheptane-3,4-diol
CID 21486220
(3R,4R,5S)-5-methoxy-4-phenylselanylhexan-3-ol
CID 134931525
methanol;5-methoxyhexan-3-ol
CID 171659791
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
(2R,3R)-3-bromo-2-methoxypentane
CID 6430987
2-(3,3-dimethylbutoxy)pentan-3-ol
CID 66225389

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methoxypentan-3-ol?
The IUPAC name of (2R,3S)-2-methoxypentan-3-ol (CID 13427568) is (2R,3S)-2-methoxypentan-3-ol.
What is the SMILES notation for (2R,3S)-2-methoxypentan-3-ol?
The canonical SMILES for (2R,3S)-2-methoxypentan-3-ol is CC[C@H](O)[C@@H](C)OC.
What is the InChIKey of (2R,3S)-2-methoxypentan-3-ol?
The InChIKey is XIRSUXFZVLKHKX-RITPCOANSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-6(7)5(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of (2R,3S)-2-methoxypentan-3-ol?
(2R,3S)-2-methoxypentan-3-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methoxypentan-3-ol is sourced from PubChem (CID 13427568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).