2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane

C10H17ClO3 — CID 11964355

IUPAC2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane
SMILESClC[C@H]1O[C@@H]1CCOC1CCCCO1
InChIInChI=1S/C10H17ClO3/c11-7-9-8(14-9)4-6-13-10-3-1-2-5-12-10/h8-10H,1-7H2/t8-,9-,10?/m1/s1
InChIKeyMQKPXTCVXSTLBI-MGRQHWMJSA-N
MW220.70 g/mol
LogP1.93
Rot. Bonds5

About 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane

2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane (PubChem CID 11964355) has the molecular formula C10H17ClO3 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane
PubChem CID11964355
Molecular FormulaC10H17ClO3
Molecular Weight220.70 g/mol
Exact Mass220.09
IUPAC Name2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane
SMILESClC[C@H]1O[C@@H]1CCOC1CCCCO1
InChIInChI=1S/C10H17ClO3/c11-7-9-8(14-9)4-6-13-10-3-1-2-5-12-10/h8-10H,1-7H2/t8-,9-,10?/m1/s1
InChIKeyMQKPXTCVXSTLBI-MGRQHWMJSA-N
XLogP1.93
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethoxy)oxepane
CID 24977653
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-chlorododecoxy)oxane
CID 14014573
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane?
The IUPAC name of 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane (CID 11964355) is 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane?
The canonical SMILES for 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane is ClC[C@H]1O[C@@H]1CCOC1CCCCO1.
What is the InChIKey of 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane?
The InChIKey is MQKPXTCVXSTLBI-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H17ClO3/c11-7-9-8(14-9)4-6-13-10-3-1-2-5-12-10/h8-10H,1-7H2/t8-,9-,10?/m1/s1.
What are the key properties of 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane?
2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane has a molecular weight of 220.70 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane is sourced from PubChem (CID 11964355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).