(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one

C11H16O2 — CID 10535379

IUPAC(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one
SMILESO=C1C[C@H]2CC[C@H](C2)[C@@]12CCCO2
InChIInChI=1S/C11H16O2/c12-10-7-8-2-3-9(6-8)11(10)4-1-5-13-11/h8-9H,1-7H2/t8-,9+,11-/m0/s1
InChIKeyMQEJIXZGPPPAKD-NGZCFLSTSA-N
MW180.25 g/mol
LogP1.92
Rot. Bonds

About (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one

(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one (PubChem CID 10535379) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one.

Molecular Properties

Compound Name(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one
PubChem CID10535379
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one
SMILESO=C1C[C@H]2CC[C@H](C2)[C@@]12CCCO2
InChIInChI=1S/C11H16O2/c12-10-7-8-2-3-9(6-8)11(10)4-1-5-13-11/h8-9H,1-7H2/t8-,9+,11-/m0/s1
InChIKeyMQEJIXZGPPPAKD-NGZCFLSTSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one?
The IUPAC name of (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one (CID 10535379) is (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one.
What is the SMILES notation for (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one?
The canonical SMILES for (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one is O=C1C[C@H]2CC[C@H](C2)[C@@]12CCCO2.
What is the InChIKey of (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one?
The InChIKey is MQEJIXZGPPPAKD-NGZCFLSTSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-7-8-2-3-9(6-8)11(10)4-1-5-13-11/h8-9H,1-7H2/t8-,9+,11-/m0/s1.
What are the key properties of (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one?
(1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-spiro[bicyclo[3.2.1]octane-2,2'-oxolane]-3-one is sourced from PubChem (CID 10535379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).