10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol

C13H20O3 — CID 11117694

IUPAC10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol
SMILESC=CC1=CC2(COC(C)(C)OC2)CC(O)C1
InChIInChI=1S/C13H20O3/c1-4-10-5-11(14)7-13(6-10)8-15-12(2,3)16-9-13/h4,6,11,14H,1,5,7-9H2,2-3H3
InChIKeyVPOGBSKXOBKGKH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.02
Rot. Bonds1

About 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol

10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol (PubChem CID 11117694) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol.

Molecular Properties

Compound Name10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol
PubChem CID11117694
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol
SMILESC=CC1=CC2(COC(C)(C)OC2)CC(O)C1
InChIInChI=1S/C13H20O3/c1-4-10-5-11(14)7-13(6-10)8-15-12(2,3)16-9-13/h4,6,11,14H,1,5,7-9H2,2-3H3
InChIKeyVPOGBSKXOBKGKH-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
The IUPAC name of 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol (CID 11117694) is 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol.
What is the SMILES notation for 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
The canonical SMILES for 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol is C=CC1=CC2(COC(C)(C)OC2)CC(O)C1.
What is the InChIKey of 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
The InChIKey is VPOGBSKXOBKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-10-5-11(14)7-13(6-10)8-15-12(2,3)16-9-13/h4,6,11,14H,1,5,7-9H2,2-3H3.
What are the key properties of 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol?
10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol has a molecular weight of 224.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-10-en-8-ol is sourced from PubChem (CID 11117694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).