(1-butylcyclopentyl) 2-methylbutanoate

C14H26O2 — CID 58776787

IUPAC(1-butylcyclopentyl) 2-methylbutanoate
SMILESCCCCC1(OC(=O)C(C)CC)CCCC1
InChIInChI=1S/C14H26O2/c1-4-6-9-14(10-7-8-11-14)16-13(15)12(3)5-2/h12H,4-11H2,1-3H3
InChIKeyWXNFCGOIVOJRDF-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds6

About (1-butylcyclopentyl) 2-methylbutanoate

(1-butylcyclopentyl) 2-methylbutanoate (PubChem CID 58776787) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1-butylcyclopentyl) 2-methylbutanoate.

Molecular Properties

Compound Name(1-butylcyclopentyl) 2-methylbutanoate
PubChem CID58776787
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1-butylcyclopentyl) 2-methylbutanoate
SMILESCCCCC1(OC(=O)C(C)CC)CCCC1
InChIInChI=1S/C14H26O2/c1-4-6-9-14(10-7-8-11-14)16-13(15)12(3)5-2/h12H,4-11H2,1-3H3
InChIKeyWXNFCGOIVOJRDF-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-butylcyclopentyl) 2-methylbutanoate?
The IUPAC name of (1-butylcyclopentyl) 2-methylbutanoate (CID 58776787) is (1-butylcyclopentyl) 2-methylbutanoate.
What is the SMILES notation for (1-butylcyclopentyl) 2-methylbutanoate?
The canonical SMILES for (1-butylcyclopentyl) 2-methylbutanoate is CCCCC1(OC(=O)C(C)CC)CCCC1.
What is the InChIKey of (1-butylcyclopentyl) 2-methylbutanoate?
The InChIKey is WXNFCGOIVOJRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-9-14(10-7-8-11-14)16-13(15)12(3)5-2/h12H,4-11H2,1-3H3.
What are the key properties of (1-butylcyclopentyl) 2-methylbutanoate?
(1-butylcyclopentyl) 2-methylbutanoate has a molecular weight of 226.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclopentyl) 2-methylbutanoate is sourced from PubChem (CID 58776787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).