7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane

C12H19IO2 — CID 130655634

IUPAC7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
SMILESCOC1CC2(CCC(CI)O2)C12CCC2
InChIInChI=1S/C12H19IO2/c1-14-10-7-12(11(10)4-2-5-11)6-3-9(8-13)15-12/h9-10H,2-8H2,1H3
InChIKeyMHJLQYJWRQRSOJ-UHFFFAOYSA-N
MW322.19 g/mol
LogP2.93
Rot. Bonds2

About 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane

7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane (PubChem CID 130655634) has the molecular formula C12H19IO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane.

Molecular Properties

Compound Name7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
PubChem CID130655634
Molecular FormulaC12H19IO2
Molecular Weight322.19 g/mol
Exact Mass322.04
IUPAC Name7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
SMILESCOC1CC2(CCC(CI)O2)C12CCC2
InChIInChI=1S/C12H19IO2/c1-14-10-7-12(11(10)4-2-5-11)6-3-9(8-13)15-12/h9-10H,2-8H2,1H3
InChIKeyMHJLQYJWRQRSOJ-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
3-ethyl-1-methoxyspiro[3.3]heptan-3-ol
CID 130681732
2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
CID 130582587
2-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol
CID 130697809
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
(2R)-2-(iodomethyl)-5-methoxyoxolane
CID 134907536
5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130582614
11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one
CID 130655238
(5S,6S)-6-methoxy-4-oxadispiro[2.1.25.33]decane
CID 163836885
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652

Frequently Asked Questions

What is the IUPAC name of 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane?
The IUPAC name of 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane (CID 130655634) is 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane.
What is the SMILES notation for 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane?
The canonical SMILES for 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane is COC1CC2(CCC(CI)O2)C12CCC2.
What is the InChIKey of 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane?
The InChIKey is MHJLQYJWRQRSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO2/c1-14-10-7-12(11(10)4-2-5-11)6-3-9(8-13)15-12/h9-10H,2-8H2,1H3.
What are the key properties of 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane?
7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane has a molecular weight of 322.19 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane is sourced from PubChem (CID 130655634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).