4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one

C17H28O2 — CID 15559823

IUPAC4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one
SMILESCC1CCC2C(C)(C)CCCC2(C)C12CCC(=O)O2
InChIInChI=1S/C17H28O2/c1-12-6-7-13-15(2,3)9-5-10-16(13,4)17(12)11-8-14(18)19-17/h12-13H,5-11H2,1-4H3
InChIKeyAQNLWBUTGIPKLD-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.32
Rot. Bonds

About 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one

4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one (PubChem CID 15559823) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one.

Molecular Properties

Compound Name4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one
PubChem CID15559823
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one
SMILESCC1CCC2C(C)(C)CCCC2(C)C12CCC(=O)O2
InChIInChI=1S/C17H28O2/c1-12-6-7-13-15(2,3)9-5-10-16(13,4)17(12)11-8-14(18)19-17/h12-13H,5-11H2,1-4H3
InChIKeyAQNLWBUTGIPKLD-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one?
The IUPAC name of 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one (CID 15559823) is 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one.
What is the SMILES notation for 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one?
The canonical SMILES for 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one is CC1CCC2C(C)(C)CCCC2(C)C12CCC(=O)O2.
What is the InChIKey of 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one?
The InChIKey is AQNLWBUTGIPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12-6-7-13-15(2,3)9-5-10-16(13,4)17(12)11-8-14(18)19-17/h12-13H,5-11H2,1-4H3.
What are the key properties of 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one?
4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one has a molecular weight of 264.41 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one is sourced from PubChem (CID 15559823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).