1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one

C12H20O3 — CID 57249929

IUPAC1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one
SMILESCC(=O)CC1CCCC2(CC1)OCCO2
InChIInChI=1S/C12H20O3/c1-10(13)9-11-3-2-5-12(6-4-11)14-7-8-15-12/h11H,2-9H2,1H3
InChIKeyVGICSNUYYZZKFC-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one

1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one (PubChem CID 57249929) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one
PubChem CID57249929
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one
SMILESCC(=O)CC1CCCC2(CC1)OCCO2
InChIInChI=1S/C12H20O3/c1-10(13)9-11-3-2-5-12(6-4-11)14-7-8-15-12/h11H,2-9H2,1H3
InChIKeyVGICSNUYYZZKFC-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one?
The IUPAC name of 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one (CID 57249929) is 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one?
The canonical SMILES for 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one is CC(=O)CC1CCCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one?
The InChIKey is VGICSNUYYZZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(13)9-11-3-2-5-12(6-4-11)14-7-8-15-12/h11H,2-9H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one?
1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.6]undecan-8-yl)propan-2-one is sourced from PubChem (CID 57249929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).