(6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one

C10H16O4 — CID 10998026

IUPAC(6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
SMILESO=C1CCC[C@@H]([C@@H]2C[C@H]2[C@H](O)CO)O1
InChIInChI=1S/C10H16O4/c11-5-8(12)6-4-7(6)9-2-1-3-10(13)14-9/h6-9,11-12H,1-5H2/t6-,7-,8-,9+/m1/s1
InChIKeyQLKJFQQEBKYJCO-BGZDPUMWSA-N
MW200.23 g/mol
LogP0.07
Rot. Bonds3

About (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one

(6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one (PubChem CID 10998026) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one.

Molecular Properties

Compound Name(6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
PubChem CID10998026
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
SMILESO=C1CCC[C@@H]([C@@H]2C[C@H]2[C@H](O)CO)O1
InChIInChI=1S/C10H16O4/c11-5-8(12)6-4-7(6)9-2-1-3-10(13)14-9/h6-9,11-12H,1-5H2/t6-,7-,8-,9+/m1/s1
InChIKeyQLKJFQQEBKYJCO-BGZDPUMWSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
The IUPAC name of (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one (CID 10998026) is (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one.
What is the SMILES notation for (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
The canonical SMILES for (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one is O=C1CCC[C@@H]([C@@H]2C[C@H]2[C@H](O)CO)O1.
What is the InChIKey of (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
The InChIKey is QLKJFQQEBKYJCO-BGZDPUMWSA-N. The full InChI is InChI=1S/C10H16O4/c11-5-8(12)6-4-7(6)9-2-1-3-10(13)14-9/h6-9,11-12H,1-5H2/t6-,7-,8-,9+/m1/s1.
What are the key properties of (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
(6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one has a molecular weight of 200.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(1R,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one is sourced from PubChem (CID 10998026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).