3-[1-(butoxymethyl)cyclopentyl]pentanenitrile

C15H27NO — CID 70966788

IUPAC3-[1-(butoxymethyl)cyclopentyl]pentanenitrile
SMILESCCCCOCC1(C(CC)CC#N)CCCC1
InChIInChI=1S/C15H27NO/c1-3-5-12-17-13-15(9-6-7-10-15)14(4-2)8-11-16/h14H,3-10,12-13H2,1-2H3
InChIKeyDIFDPOZRZOECCJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.30
Rot. Bonds8

About 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile

3-[1-(butoxymethyl)cyclopentyl]pentanenitrile (PubChem CID 70966788) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile.

Molecular Properties

Compound Name3-[1-(butoxymethyl)cyclopentyl]pentanenitrile
PubChem CID70966788
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[1-(butoxymethyl)cyclopentyl]pentanenitrile
SMILESCCCCOCC1(C(CC)CC#N)CCCC1
InChIInChI=1S/C15H27NO/c1-3-5-12-17-13-15(9-6-7-10-15)14(4-2)8-11-16/h14H,3-10,12-13H2,1-2H3
InChIKeyDIFDPOZRZOECCJ-UHFFFAOYSA-N
XLogP4.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile?
The IUPAC name of 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile (CID 70966788) is 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile.
What is the SMILES notation for 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile?
The canonical SMILES for 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile is CCCCOCC1(C(CC)CC#N)CCCC1.
What is the InChIKey of 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile?
The InChIKey is DIFDPOZRZOECCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-12-17-13-15(9-6-7-10-15)14(4-2)8-11-16/h14H,3-10,12-13H2,1-2H3.
What are the key properties of 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile?
3-[1-(butoxymethyl)cyclopentyl]pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(butoxymethyl)cyclopentyl]pentanenitrile is sourced from PubChem (CID 70966788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).