3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one

C14H24O2 — CID 79894570

IUPAC3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
SMILESCC(C)C(=O)CC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O2/c1-11(2)13(15)9-12-5-8-16-14(10-12)6-3-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeyQZNJKZNOILAZOR-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one

3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one (PubChem CID 79894570) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
PubChem CID79894570
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
SMILESCC(C)C(=O)CC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O2/c1-11(2)13(15)9-12-5-8-16-14(10-12)6-3-4-7-14/h11-12H,3-10H2,1-2H3
InChIKeyQZNJKZNOILAZOR-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342
2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
CID 79894178
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one (CID 79894570) is 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one is CC(C)C(=O)CC1CCOC2(CCCC2)C1.
What is the InChIKey of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
The InChIKey is QZNJKZNOILAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)13(15)9-12-5-8-16-14(10-12)6-3-4-7-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one?
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one is sourced from PubChem (CID 79894570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).