methane;propan-2-yl furan-2-carboxylate

C9H14O3 — CID 157166715

IUPACmethane;propan-2-yl furan-2-carboxylate
SMILESC.CC(C)OC(=O)c1ccco1
InChIInChI=1S/C8H10O3.CH4/c1-6(2)11-8(9)7-4-3-5-10-7;/h3-6H,1-2H3;1H4
InChIKeyAMZOJAXQVMSXRT-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.48
Rot. Bonds2

About methane;propan-2-yl furan-2-carboxylate

methane;propan-2-yl furan-2-carboxylate (PubChem CID 157166715) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methane;propan-2-yl furan-2-carboxylate.

Molecular Properties

Compound Namemethane;propan-2-yl furan-2-carboxylate
PubChem CID157166715
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethane;propan-2-yl furan-2-carboxylate
SMILESC.CC(C)OC(=O)c1ccco1
InChIInChI=1S/C8H10O3.CH4/c1-6(2)11-8(9)7-4-3-5-10-7;/h3-6H,1-2H3;1H4
InChIKeyAMZOJAXQVMSXRT-UHFFFAOYSA-N
XLogP2.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl furan-2-carboxylate?
The IUPAC name of methane;propan-2-yl furan-2-carboxylate (CID 157166715) is methane;propan-2-yl furan-2-carboxylate.
What is the SMILES notation for methane;propan-2-yl furan-2-carboxylate?
The canonical SMILES for methane;propan-2-yl furan-2-carboxylate is C.CC(C)OC(=O)c1ccco1.
What is the InChIKey of methane;propan-2-yl furan-2-carboxylate?
The InChIKey is AMZOJAXQVMSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.CH4/c1-6(2)11-8(9)7-4-3-5-10-7;/h3-6H,1-2H3;1H4.
What are the key properties of methane;propan-2-yl furan-2-carboxylate?
methane;propan-2-yl furan-2-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-yl furan-2-carboxylate is sourced from PubChem (CID 157166715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).