8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane

C11H18ClNO2 — CID 106438488

IUPAC8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(=CCl)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18ClNO2/c1-10(8-12)9-13-4-2-11(3-5-13)14-6-7-15-11/h8H,2-7,9H2,1H3
InChIKeyQBDPPIAJPRFLQK-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.97
Rot. Bonds2

About 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 106438488) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID106438488
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(=CCl)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H18ClNO2/c1-10(8-12)9-13-4-2-11(3-5-13)14-6-7-15-11/h8H,2-7,9H2,1H3
InChIKeyQBDPPIAJPRFLQK-UHFFFAOYSA-N
XLogP1.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 106438488) is 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane is CC(=CCl)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is QBDPPIAJPRFLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-10(8-12)9-13-4-2-11(3-5-13)14-6-7-15-11/h8H,2-7,9H2,1H3.
What are the key properties of 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 231.72 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-methylprop-2-enyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 106438488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).