1-propan-2-yloxyspiro[3.5]nonan-3-one

C12H20O2 — CID 66367846

IUPAC1-propan-2-yloxyspiro[3.5]nonan-3-one
SMILESCC(C)OC1CC(=O)C12CCCCC2
InChIInChI=1S/C12H20O2/c1-9(2)14-11-8-10(13)12(11)6-4-3-5-7-12/h9,11H,3-8H2,1-2H3
InChIKeyYEFZWGWDTWFCPA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds2

About 1-propan-2-yloxyspiro[3.5]nonan-3-one

1-propan-2-yloxyspiro[3.5]nonan-3-one (PubChem CID 66367846) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-propan-2-yloxyspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-propan-2-yloxyspiro[3.5]nonan-3-one
PubChem CID66367846
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-propan-2-yloxyspiro[3.5]nonan-3-one
SMILESCC(C)OC1CC(=O)C12CCCCC2
InChIInChI=1S/C12H20O2/c1-9(2)14-11-8-10(13)12(11)6-4-3-5-7-12/h9,11H,3-8H2,1-2H3
InChIKeyYEFZWGWDTWFCPA-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
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-propan-2-yloxyspiro[3.5]nonan-3-one?
The IUPAC name of 1-propan-2-yloxyspiro[3.5]nonan-3-one (CID 66367846) is 1-propan-2-yloxyspiro[3.5]nonan-3-one.
What is the SMILES notation for 1-propan-2-yloxyspiro[3.5]nonan-3-one?
The canonical SMILES for 1-propan-2-yloxyspiro[3.5]nonan-3-one is CC(C)OC1CC(=O)C12CCCCC2.
What is the InChIKey of 1-propan-2-yloxyspiro[3.5]nonan-3-one?
The InChIKey is YEFZWGWDTWFCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)14-11-8-10(13)12(11)6-4-3-5-7-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yloxyspiro[3.5]nonan-3-one?
1-propan-2-yloxyspiro[3.5]nonan-3-one has a molecular weight of 196.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyspiro[3.5]nonan-3-one is sourced from PubChem (CID 66367846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).