4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one

C10H14O3 — CID 54697440

IUPAC4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one
SMILESO=C1C=C(O)CC2(CCCCC2)O1
InChIInChI=1S/C10H14O3/c11-8-6-9(12)13-10(7-8)4-2-1-3-5-10/h6,11H,1-5,7H2
InChIKeyMDQDKSCQEIODPB-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.08
Rot. Bonds

About 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one

4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one (PubChem CID 54697440) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one
PubChem CID54697440
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one
SMILESO=C1C=C(O)CC2(CCCCC2)O1
InChIInChI=1S/C10H14O3/c11-8-6-9(12)13-10(7-8)4-2-1-3-5-10/h6,11H,1-5,7H2
InChIKeyMDQDKSCQEIODPB-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one?
The IUPAC name of 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one (CID 54697440) is 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one?
The canonical SMILES for 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one is O=C1C=C(O)CC2(CCCCC2)O1.
What is the InChIKey of 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one?
The InChIKey is MDQDKSCQEIODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-8-6-9(12)13-10(7-8)4-2-1-3-5-10/h6,11H,1-5,7H2.
What are the key properties of 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one?
4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one has a molecular weight of 182.22 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxaspiro[5.5]undec-3-en-2-one is sourced from PubChem (CID 54697440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).