1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one

C13H20O2 — CID 66367438

IUPAC1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one
SMILESO=C1CC(OCC2CC2)C12CCCCC2
InChIInChI=1S/C13H20O2/c14-11-8-12(15-9-10-4-5-10)13(11)6-2-1-3-7-13/h10,12H,1-9H2
InChIKeyRINQPGJAGIQMDA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.70
Rot. Bonds3

About 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one

1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one (PubChem CID 66367438) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one
PubChem CID66367438
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one
SMILESO=C1CC(OCC2CC2)C12CCCCC2
InChIInChI=1S/C13H20O2/c14-11-8-12(15-9-10-4-5-10)13(11)6-2-1-3-7-13/h10,12H,1-9H2
InChIKeyRINQPGJAGIQMDA-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one?
The IUPAC name of 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one (CID 66367438) is 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one?
The canonical SMILES for 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one is O=C1CC(OCC2CC2)C12CCCCC2.
What is the InChIKey of 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one?
The InChIKey is RINQPGJAGIQMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-11-8-12(15-9-10-4-5-10)13(11)6-2-1-3-7-13/h10,12H,1-9H2.
What are the key properties of 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one?
1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one has a molecular weight of 208.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)spiro[3.5]nonan-3-one is sourced from PubChem (CID 66367438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).