10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one

C16H24O3 — CID 24861934

IUPAC10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one
SMILESCC1=C2C(=O)CCCC3(OCCO3)C(CC1)C2(C)C
InChIInChI=1S/C16H24O3/c1-11-6-7-13-15(2,3)14(11)12(17)5-4-8-16(13)18-9-10-19-16/h13H,4-10H2,1-3H3
InChIKeyIGBGQODXADQDIL-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.24
Rot. Bonds

About 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one

10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one (PubChem CID 24861934) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one.

Molecular Properties

Compound Name10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one
PubChem CID24861934
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one
SMILESCC1=C2C(=O)CCCC3(OCCO3)C(CC1)C2(C)C
InChIInChI=1S/C16H24O3/c1-11-6-7-13-15(2,3)14(11)12(17)5-4-8-16(13)18-9-10-19-16/h13H,4-10H2,1-3H3
InChIKeyIGBGQODXADQDIL-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one?
The IUPAC name of 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one (CID 24861934) is 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one.
What is the SMILES notation for 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one?
The canonical SMILES for 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one is CC1=C2C(=O)CCCC3(OCCO3)C(CC1)C2(C)C.
What is the InChIKey of 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one?
The InChIKey is IGBGQODXADQDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-6-7-13-15(2,3)14(11)12(17)5-4-8-16(13)18-9-10-19-16/h13H,4-10H2,1-3H3.
What are the key properties of 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one?
10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one has a molecular weight of 264.36 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10',11',11'-trimethylspiro[1,3-dioxolane-2,6'-bicyclo[5.3.1]undec-1(10)-ene]-2'-one is sourced from PubChem (CID 24861934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).