(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane

C10H17IO2 — CID 125486239

IUPAC(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
SMILESICC1(CO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C10H17IO2/c11-7-10(4-5-10)8-13-9-3-1-2-6-12-9/h9H,1-8H2/t9-/m1/s1
InChIKeyXGTPFDCBUUDQSY-SECBINFHSA-N
MW296.15 g/mol
LogP2.74
Rot. Bonds4

About (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane

(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane (PubChem CID 125486239) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
PubChem CID125486239
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
SMILESICC1(CO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C10H17IO2/c11-7-10(4-5-10)8-13-9-3-1-2-6-12-9/h9H,1-8H2/t9-/m1/s1
InChIKeyXGTPFDCBUUDQSY-SECBINFHSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.74
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

1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
2-(18-iodooctadecoxy)oxane
CID 86124950
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane?
The IUPAC name of (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane (CID 125486239) is (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane.
What is the SMILES notation for (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane?
The canonical SMILES for (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane is ICC1(CO[C@@H]2CCCCO2)CC1.
What is the InChIKey of (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane?
The InChIKey is XGTPFDCBUUDQSY-SECBINFHSA-N. The full InChI is InChI=1S/C10H17IO2/c11-7-10(4-5-10)8-13-9-3-1-2-6-12-9/h9H,1-8H2/t9-/m1/s1.
What are the key properties of (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane?
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane has a molecular weight of 296.15 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane is sourced from PubChem (CID 125486239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).