2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one

C13H22O2 — CID 146049033

IUPAC2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one
SMILESCC(C)C(=O)C1CCOCC12CCCC2
InChIInChI=1S/C13H22O2/c1-10(2)12(14)11-5-8-15-9-13(11)6-3-4-7-13/h10-11H,3-9H2,1-2H3
InChIKeyBNMMHBBXTBKHIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.81
Rot. Bonds2

About 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one

2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one (PubChem CID 146049033) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one
PubChem CID146049033
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one
SMILESCC(C)C(=O)C1CCOCC12CCCC2
InChIInChI=1S/C13H22O2/c1-10(2)12(14)11-5-8-15-9-13(11)6-3-4-7-13/h10-11H,3-9H2,1-2H3
InChIKeyBNMMHBBXTBKHIW-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one (CID 146049033) is 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one is CC(C)C(=O)C1CCOCC12CCCC2.
What is the InChIKey of 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one?
The InChIKey is BNMMHBBXTBKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)12(14)11-5-8-15-9-13(11)6-3-4-7-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one?
2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-oxaspiro[4.5]decan-10-yl)propan-1-one is sourced from PubChem (CID 146049033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).