(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one

C8H12O2 — CID 134931511

IUPAC(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
SMILESC[C@]12CCC[C@H](O1)C(=O)C2
InChIInChI=1S/C8H12O2/c1-8-4-2-3-7(10-8)6(9)5-8/h7H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyHBTPVMDNHWXHMP-JGVFFNPUSA-N
MW140.18 g/mol
LogP1.29
Rot. Bonds

About (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one

(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one (PubChem CID 134931511) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
PubChem CID134931511
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
SMILESC[C@]12CCC[C@H](O1)C(=O)C2
InChIInChI=1S/C8H12O2/c1-8-4-2-3-7(10-8)6(9)5-8/h7H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyHBTPVMDNHWXHMP-JGVFFNPUSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one?
The IUPAC name of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one (CID 134931511) is (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one.
What is the SMILES notation for (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one?
The canonical SMILES for (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one is C[C@]12CCC[C@H](O1)C(=O)C2.
What is the InChIKey of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one?
The InChIKey is HBTPVMDNHWXHMP-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H12O2/c1-8-4-2-3-7(10-8)6(9)5-8/h7H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one?
(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one has a molecular weight of 140.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 134931511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).