2-methylbutan-2-yl pentanoate

C10H20O2 — CID 559101

IUPAC2-methylbutan-2-yl pentanoate
SMILESCCCCC(=O)OC(C)(C)CC
InChIInChI=1S/C10H20O2/c1-5-7-8-9(11)12-10(3,4)6-2/h5-8H2,1-4H3
InChIKeyHESXDTDXXBSJET-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.91
Rot. Bonds5

About 2-methylbutan-2-yl pentanoate

2-methylbutan-2-yl pentanoate (PubChem CID 559101) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methylbutan-2-yl pentanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl pentanoate
PubChem CID559101
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methylbutan-2-yl pentanoate
SMILESCCCCC(=O)OC(C)(C)CC
InChIInChI=1S/C10H20O2/c1-5-7-8-9(11)12-10(3,4)6-2/h5-8H2,1-4H3
InChIKeyHESXDTDXXBSJET-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl pentanoate?
The IUPAC name of 2-methylbutan-2-yl pentanoate (CID 559101) is 2-methylbutan-2-yl pentanoate.
What is the SMILES notation for 2-methylbutan-2-yl pentanoate?
The canonical SMILES for 2-methylbutan-2-yl pentanoate is CCCCC(=O)OC(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-yl pentanoate?
The InChIKey is HESXDTDXXBSJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-7-8-9(11)12-10(3,4)6-2/h5-8H2,1-4H3.
What are the key properties of 2-methylbutan-2-yl pentanoate?
2-methylbutan-2-yl pentanoate has a molecular weight of 172.27 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl pentanoate is sourced from PubChem (CID 559101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).