2-methylpentan-2-yl formate

C7H14O2 — CID 18467596

IUPAC2-methylpentan-2-yl formate
SMILESCCCC(C)(C)OC=O
InChIInChI=1S/C7H14O2/c1-4-5-7(2,3)9-6-8/h6H,4-5H2,1-3H3
InChIKeyVRERFCZMTJEUTK-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.74
Rot. Bonds4

About 2-methylpentan-2-yl formate

2-methylpentan-2-yl formate (PubChem CID 18467596) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methylpentan-2-yl formate.

Molecular Properties

Compound Name2-methylpentan-2-yl formate
PubChem CID18467596
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methylpentan-2-yl formate
SMILESCCCC(C)(C)OC=O
InChIInChI=1S/C7H14O2/c1-4-5-7(2,3)9-6-8/h6H,4-5H2,1-3H3
InChIKeyVRERFCZMTJEUTK-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl formate?
The IUPAC name of 2-methylpentan-2-yl formate (CID 18467596) is 2-methylpentan-2-yl formate.
What is the SMILES notation for 2-methylpentan-2-yl formate?
The canonical SMILES for 2-methylpentan-2-yl formate is CCCC(C)(C)OC=O.
What is the InChIKey of 2-methylpentan-2-yl formate?
The InChIKey is VRERFCZMTJEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-5-7(2,3)9-6-8/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylpentan-2-yl formate?
2-methylpentan-2-yl formate has a molecular weight of 130.19 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl formate is sourced from PubChem (CID 18467596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).