3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane

C11H17Cl2NO2 — CID 102930085

IUPAC3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCl/C=C(/Cl)COC1COC2(CCNCC2)C1
InChIInChI=1S/C11H17Cl2NO2/c12-6-9(13)7-15-10-5-11(16-8-10)1-3-14-4-2-11/h6,10,14H,1-5,7-8H2/b9-6+
InChIKeyINLZXISMZQKVDD-RMKNXTFCSA-N
MW266.17 g/mol
LogP2.23
Rot. Bonds3

About 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane

3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930085) has the molecular formula C11H17Cl2NO2 and a molecular weight of 266.17 g/mol. Its IUPAC name is 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930085
Molecular FormulaC11H17Cl2NO2
Molecular Weight266.17 g/mol
Exact Mass265.06
IUPAC Name3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCl/C=C(/Cl)COC1COC2(CCNCC2)C1
InChIInChI=1S/C11H17Cl2NO2/c12-6-9(13)7-15-10-5-11(16-8-10)1-3-14-4-2-11/h6,10,14H,1-5,7-8H2/b9-6+
InChIKeyINLZXISMZQKVDD-RMKNXTFCSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
3-[(E)-2,3-dichloroprop-2-enoxy]azetidine
CID 131384043
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
CID 102930141
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
CID 102930322
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843
3-[(3-bromo-4-fluorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930076
3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930291
3-[(2,5-dichlorophenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930132
1-oxa-8-azaspiro[4.5]decan-3-yl N-cyclobutylcarbamate
CID 102930707

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930085) is 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane is Cl/C=C(/Cl)COC1COC2(CCNCC2)C1.
What is the InChIKey of 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is INLZXISMZQKVDD-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H17Cl2NO2/c12-6-9(13)7-15-10-5-11(16-8-10)1-3-14-4-2-11/h6,10,14H,1-5,7-8H2/b9-6+.
What are the key properties of 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 266.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).