2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole

C11H18ClNO — CID 90328872

IUPAC2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole
SMILESClC1=NC2CCCCCCCCC2O1
InChIInChI=1S/C11H18ClNO/c12-11-13-9-7-5-3-1-2-4-6-8-10(9)14-11/h9-10H,1-8H2
InChIKeyBIWDJBFYIRGAJF-UHFFFAOYSA-N
MW215.72 g/mol
LogP3.48
Rot. Bonds

About 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole

2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole (PubChem CID 90328872) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole.

Molecular Properties

Compound Name2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole
PubChem CID90328872
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole
SMILESClC1=NC2CCCCCCCCC2O1
InChIInChI=1S/C11H18ClNO/c12-11-13-9-7-5-3-1-2-4-6-8-10(9)14-11/h9-10H,1-8H2
InChIKeyBIWDJBFYIRGAJF-UHFFFAOYSA-N
XLogP3.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole?
The IUPAC name of 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole (CID 90328872) is 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole.
What is the SMILES notation for 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole?
The canonical SMILES for 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole is ClC1=NC2CCCCCCCCC2O1.
What is the InChIKey of 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole?
The InChIKey is BIWDJBFYIRGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c12-11-13-9-7-5-3-1-2-4-6-8-10(9)14-11/h9-10H,1-8H2.
What are the key properties of 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole?
2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole has a molecular weight of 215.72 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazole is sourced from PubChem (CID 90328872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).