5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile

C15H19NO — CID 54965695

IUPAC5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
SMILESN#CCCCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO/c16-10-4-1-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h8-9,12H,1-7,11H2
InChIKeyUPZVTSGNGRJNGY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.64
Rot. Bonds5

About 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile

5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile (PubChem CID 54965695) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
PubChem CID54965695
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
SMILESN#CCCCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO/c16-10-4-1-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h8-9,12H,1-7,11H2
InChIKeyUPZVTSGNGRJNGY-UHFFFAOYSA-N
XLogP3.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
7-[4-[10-[4-(6-cyanohexoxy)phenoxy]decoxy]phenoxy]heptanenitrile
CID 102361526
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene
CID 61398910
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile (CID 54965695) is 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile is N#CCCCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile?
The InChIKey is UPZVTSGNGRJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-10-4-1-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h8-9,12H,1-7,11H2.
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile?
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile has a molecular weight of 229.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile is sourced from PubChem (CID 54965695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).