3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]

C11H15IO2 — CID 117070185

IUPAC3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]
SMILESCC1=C(I)C2CCC1CC21OCCO1
InChIInChI=1S/C11H15IO2/c1-7-8-2-3-9(10(7)12)11(6-8)13-4-5-14-11/h8-9H,2-6H2,1H3
InChIKeyFRHZHILTDKESML-UHFFFAOYSA-N
MW306.14 g/mol
LogP2.87
Rot. Bonds

About 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]

3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene] (PubChem CID 117070185) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene].

Molecular Properties

Compound Name3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]
PubChem CID117070185
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]
SMILESCC1=C(I)C2CCC1CC21OCCO1
InChIInChI=1S/C11H15IO2/c1-7-8-2-3-9(10(7)12)11(6-8)13-4-5-14-11/h8-9H,2-6H2,1H3
InChIKeyFRHZHILTDKESML-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1'S,3'E,4'R)-3'-(dimethylaminomethylidene)spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]heptane]-2'-one
CID 177426404
(9R)-6-methyl-1,4-dioxaspiro[4.5]decane-9-carboxylic acid
CID 130642210
spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol
CID 163665577
6-bromo-7,9,9-trimethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 139606296
6-iodo-7,9,9-trimethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 139606291
(1'S,4'S)-5'-iodospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 166052318
(1'S,4'R)-spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]heptane]-2'-one
CID 131162623
(1'R,2'S,4'R,7'R)-spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 88603451
spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]hept-2-ene]-2'-carboxylic acid
CID 14381790
3,4,5,6-tetramethyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 86201623
1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-one
CID 135038802
1,2,3-trimethylbicyclo[2.2.1]hept-2-ene
CID 6452384

Frequently Asked Questions

What is the IUPAC name of 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]?
The IUPAC name of 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene] (CID 117070185) is 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene].
What is the SMILES notation for 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]?
The canonical SMILES for 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene] is CC1=C(I)C2CCC1CC21OCCO1.
What is the InChIKey of 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]?
The InChIKey is FRHZHILTDKESML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-7-8-2-3-9(10(7)12)11(6-8)13-4-5-14-11/h8-9H,2-6H2,1H3.
What are the key properties of 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]?
3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene] has a molecular weight of 306.14 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene] is sourced from PubChem (CID 117070185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).