ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite

C17H25IO — CID 144594239

IUPACethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite
SMILESCC.Cc1ccc(OI)c2c1C1(CCCC1)CCC2
InChIInChI=1S/C15H19IO.C2H6/c1-11-6-7-13(17-16)12-5-4-10-15(14(11)12)8-2-3-9-15;1-2/h6-7H,2-5,8-10H2,1H3;1-2H3
InChIKeyVXSGKGIHKOJGRD-UHFFFAOYSA-N
MW372.29 g/mol
LogP5.90
Rot. Bonds1

About ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite

ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite (PubChem CID 144594239) has the molecular formula C17H25IO and a molecular weight of 372.29 g/mol. Its IUPAC name is ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite.

Molecular Properties

Compound Nameethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite
PubChem CID144594239
Molecular FormulaC17H25IO
Molecular Weight372.29 g/mol
Exact Mass372.10
IUPAC Nameethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite
SMILESCC.Cc1ccc(OI)c2c1C1(CCCC1)CCC2
InChIInChI=1S/C15H19IO.C2H6/c1-11-6-7-13(17-16)12-5-4-10-15(14(11)12)8-2-3-9-15;1-2/h6-7H,2-5,8-10H2,1H3;1-2H3
InChIKeyVXSGKGIHKOJGRD-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.29
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite?
The IUPAC name of ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite (CID 144594239) is ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite.
What is the SMILES notation for ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite?
The canonical SMILES for ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite is CC.Cc1ccc(OI)c2c1C1(CCCC1)CCC2.
What is the InChIKey of ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite?
The InChIKey is VXSGKGIHKOJGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO.C2H6/c1-11-6-7-13(17-16)12-5-4-10-15(14(11)12)8-2-3-9-15;1-2/h6-7H,2-5,8-10H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite?
ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite has a molecular weight of 372.29 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-1-yl) hypoiodite is sourced from PubChem (CID 144594239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).