(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

C14H26O2 — CID 21049876

IUPAC(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h11H,6-10H2,1-5H3
InChIKeyBETIEFRRWBBSKQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.93
Rot. Bonds4

About (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (PubChem CID 21049876) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
PubChem CID21049876
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h11H,6-10H2,1-5H3
InChIKeyBETIEFRRWBBSKQ-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 121368377
(1-pentan-3-ylcyclopentyl) 2,2-dimethylbutanoate
CID 121368371
[1-(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 161337095
(1-propan-2-ylcyclopentyl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 118518723
[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate
CID 121368364
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate
CID 144582722
(1-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444
6-butan-2-ylnaphthalen-2-ol;(4-methylphenyl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)
CID 158165057
(1-propan-2-ylcyclopentyl) acetate
CID 58143154

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (CID 21049876) is (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?
The InChIKey is BETIEFRRWBBSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h11H,6-10H2,1-5H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate has a molecular weight of 226.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 21049876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).