1-(cyclohexylmethoxy)spiro[3.4]octan-3-one

C15H24O2 — CID 66368904

IUPAC1-(cyclohexylmethoxy)spiro[3.4]octan-3-one
SMILESO=C1CC(OCC2CCCCC2)C12CCCC2
InChIInChI=1S/C15H24O2/c16-13-10-14(15(13)8-4-5-9-15)17-11-12-6-2-1-3-7-12/h12,14H,1-11H2
InChIKeyTYTRMGZXSOLNMA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.49
Rot. Bonds3

About 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one

1-(cyclohexylmethoxy)spiro[3.4]octan-3-one (PubChem CID 66368904) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)spiro[3.4]octan-3-one
PubChem CID66368904
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(cyclohexylmethoxy)spiro[3.4]octan-3-one
SMILESO=C1CC(OCC2CCCCC2)C12CCCC2
InChIInChI=1S/C15H24O2/c16-13-10-14(15(13)8-4-5-9-15)17-11-12-6-2-1-3-7-12/h12,14H,1-11H2
InChIKeyTYTRMGZXSOLNMA-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one?
The IUPAC name of 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one (CID 66368904) is 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one.
What is the SMILES notation for 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one?
The canonical SMILES for 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one is O=C1CC(OCC2CCCCC2)C12CCCC2.
What is the InChIKey of 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one?
The InChIKey is TYTRMGZXSOLNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c16-13-10-14(15(13)8-4-5-9-15)17-11-12-6-2-1-3-7-12/h12,14H,1-11H2.
What are the key properties of 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one?
1-(cyclohexylmethoxy)spiro[3.4]octan-3-one has a molecular weight of 236.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)spiro[3.4]octan-3-one is sourced from PubChem (CID 66368904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).