(10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one

C9H12O4 — CID 101414103

IUPAC(10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one
SMILESO=C1C=C[C@@H](O)CC2(C1)OCCO2
InChIInChI=1S/C9H12O4/c10-7-1-2-8(11)6-9(5-7)12-3-4-13-9/h1-2,7,10H,3-6H2/t7-/m1/s1
InChIKeyZOVHVODCZRXFMM-SSDOTTSWSA-N
MW184.19 g/mol
LogP0.01
Rot. Bonds

About (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one

(10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one (PubChem CID 101414103) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one.

Molecular Properties

Compound Name(10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one
PubChem CID101414103
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one
SMILESO=C1C=C[C@@H](O)CC2(C1)OCCO2
InChIInChI=1S/C9H12O4/c10-7-1-2-8(11)6-9(5-7)12-3-4-13-9/h1-2,7,10H,3-6H2/t7-/m1/s1
InChIKeyZOVHVODCZRXFMM-SSDOTTSWSA-N
XLogP0.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one?
The IUPAC name of (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one (CID 101414103) is (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one.
What is the SMILES notation for (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one?
The canonical SMILES for (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one is O=C1C=C[C@@H](O)CC2(C1)OCCO2.
What is the InChIKey of (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one?
The InChIKey is ZOVHVODCZRXFMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12O4/c10-7-1-2-8(11)6-9(5-7)12-3-4-13-9/h1-2,7,10H,3-6H2/t7-/m1/s1.
What are the key properties of (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one?
(10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one has a molecular weight of 184.19 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-hydroxy-1,4-dioxaspiro[4.6]undec-8-en-7-one is sourced from PubChem (CID 101414103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).