1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one

C8H14O2 — CID 45085675

IUPAC1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C8H14O2/c1-6(9)5-8-4-3-7(2)10-8/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyLFLJIWZCYFSSHZ-SFYZADRCSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds2

About 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one

1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one (PubChem CID 45085675) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
PubChem CID45085675
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C8H14O2/c1-6(9)5-8-4-3-7(2)10-8/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyLFLJIWZCYFSSHZ-SFYZADRCSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one (CID 45085675) is 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one is CC(=O)C[C@@H]1CC[C@@H](C)O1.
What is the InChIKey of 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one?
The InChIKey is LFLJIWZCYFSSHZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(9)5-8-4-3-7(2)10-8/h7-8H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one?
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one is sourced from PubChem (CID 45085675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).