(4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one

C9H16O3 — CID 58176105

IUPAC(4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one
SMILESCCO[C@@H]1OC(=O)C[C@@H]1C(C)C
InChIInChI=1S/C9H16O3/c1-4-11-9-7(6(2)3)5-8(10)12-9/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKeyXDUBSERECSCWDY-VXNVDRBHSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds3

About (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one

(4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one (PubChem CID 58176105) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one
PubChem CID58176105
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one
SMILESCCO[C@@H]1OC(=O)C[C@@H]1C(C)C
InChIInChI=1S/C9H16O3/c1-4-11-9-7(6(2)3)5-8(10)12-9/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1
InChIKeyXDUBSERECSCWDY-VXNVDRBHSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Botryodiplodin acetate
CID 76333595
5-Ethoxy-4-ethyloxolan-2-one
CID 12864817
5-Hydroxy-4-(propan-2-yl)oxolan-2-one
CID 13207309
ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate
CID 134986624
(4r,5r)-5-Ethoxy-4-(2-hydroxypropan-2-yl)-dihydrofuran-2(3h)-one
CID 155898877
methyl (2R,4S)-2-ethoxy-4-(1-iodoethyl)oxolane-3-carboxylate
CID 11198217
5-(3-Methylbutoxy)oxolan-2-one
CID 12515051
4-(Dimethoxymethyl)-5,5-dimethyloxolan-2-one
CID 71521739
4-(Diethoxymethyl)-5,5-dimethyloxolan-2-one
CID 71521823
(4S,5R)-5-ethoxy-4-(2-hydroxypropan-2-yl)oxolan-2-one
CID 102415813
(4R)-5-hydroxy-4-propan-2-yloxolan-2-one
CID 13207310
Ethyl 4,4-diethoxy-2-propan-2-ylbutanoate
CID 13911465

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one?
The IUPAC name of (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one (CID 58176105) is (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one?
The canonical SMILES for (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one is CCO[C@@H]1OC(=O)C[C@@H]1C(C)C.
What is the InChIKey of (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one?
The InChIKey is XDUBSERECSCWDY-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-11-9-7(6(2)3)5-8(10)12-9/h6-7,9H,4-5H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one?
(4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethoxy-4-propan-2-yloxolan-2-one is sourced from PubChem (CID 58176105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).