(2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one

C8H14O5 — CID 54168044

IUPAC(2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one
SMILESCC1(C)C(=O)[C@]1(O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C8H14O5/c1-7(2)6(12)8(7,13)5(11)4(10)3-9/h4-5,9-11,13H,3H2,1-2H3/t4-,5+,8-/m1/s1
InChIKeyOTANDNYMDPDMSE-GLDDHUGJSA-N
MW190.19 g/mol
LogP-1.96
Rot. Bonds3

About (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one

(2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one (PubChem CID 54168044) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one
PubChem CID54168044
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one
SMILESCC1(C)C(=O)[C@]1(O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C8H14O5/c1-7(2)6(12)8(7,13)5(11)4(10)3-9/h4-5,9-11,13H,3H2,1-2H3/t4-,5+,8-/m1/s1
InChIKeyOTANDNYMDPDMSE-GLDDHUGJSA-N
XLogP-1.96
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one?
The IUPAC name of (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one (CID 54168044) is (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one?
The canonical SMILES for (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one is CC1(C)C(=O)[C@]1(O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one?
The InChIKey is OTANDNYMDPDMSE-GLDDHUGJSA-N. The full InChI is InChI=1S/C8H14O5/c1-7(2)6(12)8(7,13)5(11)4(10)3-9/h4-5,9-11,13H,3H2,1-2H3/t4-,5+,8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one?
(2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one has a molecular weight of 190.19 g/mol, XLogP of -1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3,3-dimethyl-2-[(1S,2R)-1,2,3-trihydroxypropyl]cyclopropan-1-one is sourced from PubChem (CID 54168044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).