(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol

C9H18O3 — CID 155858890

IUPAC(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol
SMILESCO[C@@H]1[C@H](O)C[C@H]1OC(C)(C)C
InChIInChI=1S/C9H18O3/c1-9(2,3)12-7-5-6(10)8(7)11-4/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyWMHLHIOAMWBYDE-BWZBUEFSSA-N
MW174.24 g/mol
LogP0.95
Rot. Bonds2

About (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol

(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol (PubChem CID 155858890) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol
PubChem CID155858890
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol
SMILESCO[C@@H]1[C@H](O)C[C@H]1OC(C)(C)C
InChIInChI=1S/C9H18O3/c1-9(2,3)12-7-5-6(10)8(7)11-4/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyWMHLHIOAMWBYDE-BWZBUEFSSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol?
The IUPAC name of (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol (CID 155858890) is (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol?
The canonical SMILES for (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol is CO[C@@H]1[C@H](O)C[C@H]1OC(C)(C)C.
What is the InChIKey of (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol?
The InChIKey is WMHLHIOAMWBYDE-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H18O3/c1-9(2,3)12-7-5-6(10)8(7)11-4/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol?
(1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol is sourced from PubChem (CID 155858890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).