[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate

C16H30O2 — CID 121368377

IUPAC[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C(C)C(C)C)CCCC1
InChIInChI=1S/C16H30O2/c1-7-15(5,6)14(17)18-16(10-8-9-11-16)13(4)12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyGRCKTSJLBZEFTQ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.57
Rot. Bonds5

About [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate

[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate (PubChem CID 121368377) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
PubChem CID121368377
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C(C)C(C)C)CCCC1
InChIInChI=1S/C16H30O2/c1-7-15(5,6)14(17)18-16(10-8-9-11-16)13(4)12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyGRCKTSJLBZEFTQ-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(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-(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-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
(1-pentylcyclopentyl) 2,2-dimethylbutanoate
CID 118933720
[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate
CID 155620166
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
The IUPAC name of [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate (CID 121368377) is [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
The canonical SMILES for [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)C(C)C)CCCC1.
What is the InChIKey of [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
The InChIKey is GRCKTSJLBZEFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-15(5,6)14(17)18-16(10-8-9-11-16)13(4)12(2)3/h12-13H,7-11H2,1-6H3.
What are the key properties of [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate has a molecular weight of 254.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 121368377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).