4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol

C15H27NO2 — CID 11425301

IUPAC4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol
SMILESOCC1CC2CCCCCCCCCCC2=NO1
InChIInChI=1S/C15H27NO2/c17-12-14-11-13-9-7-5-3-1-2-4-6-8-10-15(13)16-18-14/h13-14,17H,1-12H2
InChIKeyXRBBUWBSKJEMTR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.65
Rot. Bonds1

About 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol

4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol (PubChem CID 11425301) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol.

Molecular Properties

Compound Name4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol
PubChem CID11425301
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol
SMILESOCC1CC2CCCCCCCCCCC2=NO1
InChIInChI=1S/C15H27NO2/c17-12-14-11-13-9-7-5-3-1-2-4-6-8-10-15(13)16-18-14/h13-14,17H,1-12H2
InChIKeyXRBBUWBSKJEMTR-UHFFFAOYSA-N
XLogP3.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol?
The IUPAC name of 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol (CID 11425301) is 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol.
What is the SMILES notation for 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol?
The canonical SMILES for 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol is OCC1CC2CCCCCCCCCCC2=NO1.
What is the InChIKey of 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol?
The InChIKey is XRBBUWBSKJEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-12-14-11-13-9-7-5-3-1-2-4-6-8-10-15(13)16-18-14/h13-14,17H,1-12H2.
What are the key properties of 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol?
4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol has a molecular weight of 253.39 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydro-3H-cyclododeca[c]oxazin-3-ylmethanol is sourced from PubChem (CID 11425301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).