5-methyl-6-propan-2-yloxane-3,4-diol

C9H18O3 — CID 118603929

IUPAC5-methyl-6-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCC(O)C(O)C1C
InChIInChI=1S/C9H18O3/c1-5(2)9-6(3)8(11)7(10)4-12-9/h5-11H,4H2,1-3H3
InChIKeyQMUGEWBNTMUAHI-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.40
Rot. Bonds1

About 5-methyl-6-propan-2-yloxane-3,4-diol

5-methyl-6-propan-2-yloxane-3,4-diol (PubChem CID 118603929) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name5-methyl-6-propan-2-yloxane-3,4-diol
PubChem CID118603929
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name5-methyl-6-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCC(O)C(O)C1C
InChIInChI=1S/C9H18O3/c1-5(2)9-6(3)8(11)7(10)4-12-9/h5-11H,4H2,1-3H3
InChIKeyQMUGEWBNTMUAHI-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 57168192
(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
CID 100998822
(2R,3S,4R)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 162949873
(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
CID 10441964
(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 20835708
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yloxane-3,4-diol?
The IUPAC name of 5-methyl-6-propan-2-yloxane-3,4-diol (CID 118603929) is 5-methyl-6-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 5-methyl-6-propan-2-yloxane-3,4-diol?
The canonical SMILES for 5-methyl-6-propan-2-yloxane-3,4-diol is CC(C)C1OCC(O)C(O)C1C.
What is the InChIKey of 5-methyl-6-propan-2-yloxane-3,4-diol?
The InChIKey is QMUGEWBNTMUAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5(2)9-6(3)8(11)7(10)4-12-9/h5-11H,4H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yloxane-3,4-diol?
5-methyl-6-propan-2-yloxane-3,4-diol has a molecular weight of 174.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 118603929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).