(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol

C10H22O3 — CID 10856286

IUPAC(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol
SMILESCCC[C@@H](OC(C)(C)OC)[C@H](C)O
InChIInChI=1S/C10H22O3/c1-6-7-9(8(2)11)13-10(3,4)12-5/h8-9,11H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyQMCQBNFLAMTKOX-DTWKUNHWSA-N
MW190.28 g/mol
LogP1.93
Rot. Bonds6

About (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol

(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol (PubChem CID 10856286) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol
PubChem CID10856286
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol
SMILESCCC[C@@H](OC(C)(C)OC)[C@H](C)O
InChIInChI=1S/C10H22O3/c1-6-7-9(8(2)11)13-10(3,4)12-5/h8-9,11H,6-7H2,1-5H3/t8-,9+/m0/s1
InChIKeyQMCQBNFLAMTKOX-DTWKUNHWSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methylheptan-3-ol
CID 116711593
diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate
CID 559227
2-(2-methoxypropan-2-yloxy)propanamide
CID 143054422
4-methoxy-7-methyldecan-5-ol
CID 116711734
3-methoxy-2-methylhexane
CID 23384964
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212
ethane;3-methoxy-2-methylhexan-2-ol
CID 171072389
1,1,1,2-tetramethoxy-2,3,3,4-tetramethylheptane
CID 141041789
hexane-2,3-diol
CID 159913798
tetrakis(1-hydroxybutyl)phosphanium chloride
CID 87135581
(2R)-3-methylhexan-2-ol
CID 88692749
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol?
The IUPAC name of (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol (CID 10856286) is (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol.
What is the SMILES notation for (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol?
The canonical SMILES for (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol is CCC[C@@H](OC(C)(C)OC)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol?
The InChIKey is QMCQBNFLAMTKOX-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H22O3/c1-6-7-9(8(2)11)13-10(3,4)12-5/h8-9,11H,6-7H2,1-5H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol?
(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol is sourced from PubChem (CID 10856286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).