furan-3-ylmethyl pentanoate

C10H14O3 — CID 171935626

IUPACfuran-3-ylmethyl pentanoate
SMILESCCCCC(=O)OCc1ccoc1
InChIInChI=1S/C10H14O3/c1-2-3-4-10(11)13-8-9-5-6-12-7-9/h5-7H,2-4,8H2,1H3
InChIKeyNFFOEEPEJPPWAP-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.51
Rot. Bonds5

About furan-3-ylmethyl pentanoate

furan-3-ylmethyl pentanoate (PubChem CID 171935626) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is furan-3-ylmethyl pentanoate.

Molecular Properties

Compound Namefuran-3-ylmethyl pentanoate
PubChem CID171935626
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namefuran-3-ylmethyl pentanoate
SMILESCCCCC(=O)OCc1ccoc1
InChIInChI=1S/C10H14O3/c1-2-3-4-10(11)13-8-9-5-6-12-7-9/h5-7H,2-4,8H2,1H3
InChIKeyNFFOEEPEJPPWAP-UHFFFAOYSA-N
XLogP2.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furoic acid
CID 10268
Methyl furan-3-carboxylate
CID 14918
3-Furanmethanol
CID 20449
Ethyl 3-furoate
CID 69201
3,4-Diethyl 3,4-furandicarboxylate
CID 35399
Icosa-5,8,11,14-tetraenoic acid furan-3-ylmethyl ester
CID 10200054
3,4-Furandimethanol, diacetate
CID 100613
Dimethyl furan-3,4-dicarboxylate
CID 303461
Dibutyl 3,4-furandicarboxylate
CID 296308
3-(Diethoxymethyl)furan
CID 7006657
Acetylfuran-3-carboxylate
CID 91700613
3-Furylmethyl acetate
CID 566611

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl pentanoate?
The IUPAC name of furan-3-ylmethyl pentanoate (CID 171935626) is furan-3-ylmethyl pentanoate.
What is the SMILES notation for furan-3-ylmethyl pentanoate?
The canonical SMILES for furan-3-ylmethyl pentanoate is CCCCC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl pentanoate?
The InChIKey is NFFOEEPEJPPWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-4-10(11)13-8-9-5-6-12-7-9/h5-7H,2-4,8H2,1H3.
What are the key properties of furan-3-ylmethyl pentanoate?
furan-3-ylmethyl pentanoate has a molecular weight of 182.22 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl pentanoate is sourced from PubChem (CID 171935626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).