(2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol

C9H18O3 — CID 10607329

IUPAC(2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol
SMILESCO[C@@H]([C@H]1C[C@@H]1CO)[C@H](C)CO
InChIInChI=1S/C9H18O3/c1-6(4-10)9(12-2)8-3-7(8)5-11/h6-11H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeyQYHWBVCMRQHHDF-LURQLKTLSA-N
MW174.24 g/mol
LogP0.26
Rot. Bonds5

About (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol

(2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol (PubChem CID 10607329) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol
PubChem CID10607329
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol
SMILESCO[C@@H]([C@H]1C[C@@H]1CO)[C@H](C)CO
InChIInChI=1S/C9H18O3/c1-6(4-10)9(12-2)8-3-7(8)5-11/h6-11H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeyQYHWBVCMRQHHDF-LURQLKTLSA-N
XLogP0.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol (CID 10607329) is (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol is CO[C@@H]([C@H]1C[C@@H]1CO)[C@H](C)CO.
What is the InChIKey of (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol?
The InChIKey is QYHWBVCMRQHHDF-LURQLKTLSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(4-10)9(12-2)8-3-7(8)5-11/h6-11H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol?
(2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 10607329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).