oxacyclohexadecane-2-carbonitrile

C16H29NO — CID 10777153

IUPACoxacyclohexadecane-2-carbonitrile
SMILESN#CC1CCCCCCCCCCCCCCO1
InChIInChI=1S/C16H29NO/c17-15-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-16/h16H,1-14H2
InChIKeyRPRXJLWJWPVHBD-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.98
Rot. Bonds

About oxacyclohexadecane-2-carbonitrile

oxacyclohexadecane-2-carbonitrile (PubChem CID 10777153) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is oxacyclohexadecane-2-carbonitrile.

Molecular Properties

Compound Nameoxacyclohexadecane-2-carbonitrile
PubChem CID10777153
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Nameoxacyclohexadecane-2-carbonitrile
SMILESN#CC1CCCCCCCCCCCCCCO1
InChIInChI=1S/C16H29NO/c17-15-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-16/h16H,1-14H2
InChIKeyRPRXJLWJWPVHBD-UHFFFAOYSA-N
XLogP4.98
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
CID 159887703
(2R,5S)-5-methyloxocane-2-carbonitrile
CID 101364945
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
2-(3-methylbut-1-ynyl)oxane
CID 164769356
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
oxan-2-ylcyanamide
CID 105427278
4-cyclopentylsulfonylmorpholine-2-carbonitrile
CID 115616289
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
cyclooctanecarbonitrile
CID 13075060
2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
CID 124670962
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
(2S)-morpholine-2-carbonitrile;hydrochloride
CID 121225951

Frequently Asked Questions

What is the IUPAC name of oxacyclohexadecane-2-carbonitrile?
The IUPAC name of oxacyclohexadecane-2-carbonitrile (CID 10777153) is oxacyclohexadecane-2-carbonitrile.
What is the SMILES notation for oxacyclohexadecane-2-carbonitrile?
The canonical SMILES for oxacyclohexadecane-2-carbonitrile is N#CC1CCCCCCCCCCCCCCO1.
What is the InChIKey of oxacyclohexadecane-2-carbonitrile?
The InChIKey is RPRXJLWJWPVHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c17-15-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-16/h16H,1-14H2.
What are the key properties of oxacyclohexadecane-2-carbonitrile?
oxacyclohexadecane-2-carbonitrile has a molecular weight of 251.41 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxacyclohexadecane-2-carbonitrile is sourced from PubChem (CID 10777153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).