(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane

C10H16I2O2 — CID 135041897

IUPAC(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
SMILESICC1CCCC2(CC[C@H](CI)O2)O1
InChIInChI=1S/C10H16I2O2/c11-6-8-2-1-4-10(13-8)5-3-9(7-12)14-10/h8-9H,1-7H2/t8?,9-,10?/m1/s1
InChIKeyOFBLESIASAOURS-HWOCKDDLSA-N
MW422.04 g/mol
LogP3.30
Rot. Bonds2

About (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane

(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane (PubChem CID 135041897) has the molecular formula C10H16I2O2 and a molecular weight of 422.04 g/mol. Its IUPAC name is (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
PubChem CID135041897
Molecular FormulaC10H16I2O2
Molecular Weight422.04 g/mol
Exact Mass421.92
IUPAC Name(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
SMILESICC1CCCC2(CC[C@H](CI)O2)O1
InChIInChI=1S/C10H16I2O2/c11-6-8-2-1-4-10(13-8)5-3-9(7-12)14-10/h8-9H,1-7H2/t8?,9-,10?/m1/s1
InChIKeyOFBLESIASAOURS-HWOCKDDLSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.04
LogP ≤ 53.30
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

2-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130582614
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
CID 130583331
2-[(2S,5R,7R,8R,10R)-2-(iodomethyl)-7,8-diphenyl-1,6,9-trioxaspiro[4.7]dodecan-10-yl]acetonitrile
CID 102579333
2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
CID 130582587
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13363042
7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
CID 130655634

Frequently Asked Questions

What is the IUPAC name of (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane?
The IUPAC name of (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane (CID 135041897) is (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane is ICC1CCCC2(CC[C@H](CI)O2)O1.
What is the InChIKey of (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane?
The InChIKey is OFBLESIASAOURS-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H16I2O2/c11-6-8-2-1-4-10(13-8)5-3-9(7-12)14-10/h8-9H,1-7H2/t8?,9-,10?/m1/s1.
What are the key properties of (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane?
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane has a molecular weight of 422.04 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 135041897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).