3-(3-methylbut-2-enoxymethyl)furan

C10H14O2 — CID 25233186

IUPAC3-(3-methylbut-2-enoxymethyl)furan
SMILESCC(C)=CCOCc1ccoc1
InChIInChI=1S/C10H14O2/c1-9(2)3-5-11-7-10-4-6-12-8-10/h3-4,6,8H,5,7H2,1-2H3
InChIKeyGPMFTMPCDINXFU-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.76
Rot. Bonds4

About 3-(3-methylbut-2-enoxymethyl)furan

3-(3-methylbut-2-enoxymethyl)furan (PubChem CID 25233186) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxymethyl)furan.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxymethyl)furan
PubChem CID25233186
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-(3-methylbut-2-enoxymethyl)furan
SMILESCC(C)=CCOCc1ccoc1
InChIInChI=1S/C10H14O2/c1-9(2)3-5-11-7-10-4-6-12-8-10/h3-4,6,8H,5,7H2,1-2H3
InChIKeyGPMFTMPCDINXFU-UHFFFAOYSA-N
XLogP2.76
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylfuran
CID 13587
3-Furoic acid
CID 10268
3-Furaldehyde
CID 10351
Methyl furan-3-carboxylate
CID 14918
3-Furanmethanol
CID 20449
Ethyl 3-furoate
CID 69201
3-Vinylfuran
CID 181887
3,4-Diethyl 3,4-furandicarboxylate
CID 35399
Furan-3,4-diyldimethanol
CID 84477
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxymethyl)furan?
The IUPAC name of 3-(3-methylbut-2-enoxymethyl)furan (CID 25233186) is 3-(3-methylbut-2-enoxymethyl)furan.
What is the SMILES notation for 3-(3-methylbut-2-enoxymethyl)furan?
The canonical SMILES for 3-(3-methylbut-2-enoxymethyl)furan is CC(C)=CCOCc1ccoc1.
What is the InChIKey of 3-(3-methylbut-2-enoxymethyl)furan?
The InChIKey is GPMFTMPCDINXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(2)3-5-11-7-10-4-6-12-8-10/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxymethyl)furan?
3-(3-methylbut-2-enoxymethyl)furan has a molecular weight of 166.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxymethyl)furan is sourced from PubChem (CID 25233186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).