2-(1,4-oxazepan-4-yl)cyclododecan-1-ol

C17H33NO2 — CID 62972583

IUPAC2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
SMILESOC1CCCCCCCCCCC1N1CCCOCC1
InChIInChI=1S/C17H33NO2/c19-17-11-8-6-4-2-1-3-5-7-10-16(17)18-12-9-14-20-15-13-18/h16-17,19H,1-15H2
InChIKeyFAQDVJKCDVMLDM-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.35
Rot. Bonds1

About 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol

2-(1,4-oxazepan-4-yl)cyclododecan-1-ol (PubChem CID 62972583) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
PubChem CID62972583
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
SMILESOC1CCCCCCCCCCC1N1CCCOCC1
InChIInChI=1S/C17H33NO2/c19-17-11-8-6-4-2-1-3-5-7-10-16(17)18-12-9-14-20-15-13-18/h16-17,19H,1-15H2
InChIKeyFAQDVJKCDVMLDM-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol?
The IUPAC name of 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol (CID 62972583) is 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol.
What is the SMILES notation for 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol?
The canonical SMILES for 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol is OC1CCCCCCCCCCC1N1CCCOCC1.
What is the InChIKey of 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol?
The InChIKey is FAQDVJKCDVMLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c19-17-11-8-6-4-2-1-3-5-7-10-16(17)18-12-9-14-20-15-13-18/h16-17,19H,1-15H2.
What are the key properties of 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol?
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazepan-4-yl)cyclododecan-1-ol is sourced from PubChem (CID 62972583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).