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

C10H16O4 — CID 11030835

IUPAC(6S)-6-[(1S,2S)-2-[(1R)-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-/m0/s1
InChIKeyQLKJFQQEBKYJCO-JBDRJPRFSA-N
MW200.23 g/mol
LogP0.07
Rot. Bonds3

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

(6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one (PubChem CID 11030835) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one.

Molecular Properties

Compound Name(6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
PubChem CID11030835
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(6S)-6-[(1S,2S)-2-[(1R)-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-/m0/s1
InChIKeyQLKJFQQEBKYJCO-JBDRJPRFSA-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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Related Compounds

(6R)-6-[(1S,2S)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one
CID 11367649
cis-(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropane-1-carbonyl chloride
CID 131857466
(6S)-6-[(1R)-1-hydroxyheptyl]oxan-2-one
CID 102407446
(6R)-6-[(1R,2S,3R,5S)-2-[(1E,4Z,6E,8S)-8-hydroxydeca-1,4,6-trienyl]-6-oxabicyclo[3.1.0]hexan-3-yl]oxan-2-one
CID 163079427
(6S)-6-[(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-hydroxydeca-1,4,6-trienyl]-6-oxabicyclo[3.1.0]hexan-3-yl]oxan-2-one
CID 11500895
(6S)-6-[(1R,2S,3S,5S)-2-[(1E,4Z,6E,8S)-8-hydroxydeca-1,4,6-trienyl]-6-oxabicyclo[3.1.0]hexan-3-yl]oxan-2-one
CID 163079426
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
(6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one
CID 11367886
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 38988932
6-(2,4-dihydroxypentyl)oxan-2-one
CID 162814553
(6R)-6-[(1R,3Z,6Z,9Z,12Z)-1-hydroxypentadeca-3,6,9,12-tetraenyl]oxan-2-one
CID 125181291

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
The IUPAC name of (6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one (CID 11030835) is (6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one.
What is the SMILES notation for (6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
The canonical SMILES for (6S)-6-[(1S,2S)-2-[(1R)-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-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
The InChIKey is QLKJFQQEBKYJCO-JBDRJPRFSA-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-/m0/s1.
What are the key properties of (6S)-6-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one?
(6S)-6-[(1S,2S)-2-[(1R)-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-[(1S,2S)-2-[(1R)-1,2-dihydroxyethyl]cyclopropyl]oxan-2-one is sourced from PubChem (CID 11030835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).