(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

C11H16O2 — CID 59229021

IUPAC(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESC[C@H]1CC2CC1C1(COC(=O)C1)C2
InChIInChI=1S/C11H16O2/c1-7-2-8-3-9(7)11(4-8)5-10(12)13-6-11/h7-9H,2-6H2,1H3/t7-,8?,9?,11?/m0/s1
InChIKeyUPCMYKNDVJYJMS-BGKWUGPNSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds

About (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (PubChem CID 59229021) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

Molecular Properties

Compound Name(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
PubChem CID59229021
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESC[C@H]1CC2CC1C1(COC(=O)C1)C2
InChIInChI=1S/C11H16O2/c1-7-2-8-3-9(7)11(4-8)5-10(12)13-6-11/h7-9H,2-6H2,1H3/t7-,8?,9?,11?/m0/s1
InChIKeyUPCMYKNDVJYJMS-BGKWUGPNSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The IUPAC name of (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (CID 59229021) is (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.
What is the SMILES notation for (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The canonical SMILES for (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is C[C@H]1CC2CC1C1(COC(=O)C1)C2.
What is the InChIKey of (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The InChIKey is UPCMYKNDVJYJMS-BGKWUGPNSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-2-8-3-9(7)11(4-8)5-10(12)13-6-11/h7-9H,2-6H2,1H3/t7-,8?,9?,11?/m0/s1.
What are the key properties of (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is sourced from PubChem (CID 59229021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).