1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one

C13H22O2 — CID 79894719

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
SMILESCC(=O)CC1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22O2/c1-11(14)9-12-5-8-15-13(10-12)6-3-2-4-7-13/h12H,2-10H2,1H3
InChIKeyKAERZVDBEXWSJL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.10
Rot. Bonds2

About 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one

1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one (PubChem CID 79894719) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
PubChem CID79894719
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
SMILESCC(=O)CC1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22O2/c1-11(14)9-12-5-8-15-13(10-12)6-3-2-4-7-13/h12H,2-10H2,1H3
InChIKeyKAERZVDBEXWSJL-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
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)-1-phenylethanone
CID 79894178
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
CID 79894255
2-(9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 90488086
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one (CID 79894719) is 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one is CC(=O)CC1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one?
The InChIKey is KAERZVDBEXWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(14)9-12-5-8-15-13(10-12)6-3-2-4-7-13/h12H,2-10H2,1H3.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one?
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one is sourced from PubChem (CID 79894719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).