3-(2-methylprop-2-enoxymethyl)furan

C9H12O2 — CID 135083642

IUPAC3-(2-methylprop-2-enoxymethyl)furan
SMILESC=C(C)COCc1ccoc1
InChIInChI=1S/C9H12O2/c1-8(2)5-11-7-9-3-4-10-6-9/h3-4,6H,1,5,7H2,2H3
InChIKeyQYGDSCGOKGOSKH-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.37
Rot. Bonds4

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

3-(2-methylprop-2-enoxymethyl)furan (PubChem CID 135083642) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxymethyl)furan.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxymethyl)furan
PubChem CID135083642
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3-(2-methylprop-2-enoxymethyl)furan
SMILESC=C(C)COCc1ccoc1
InChIInChI=1S/C9H12O2/c1-8(2)5-11-7-9-3-4-10-6-9/h3-4,6H,1,5,7H2,2H3
InChIKeyQYGDSCGOKGOSKH-UHFFFAOYSA-N
XLogP2.37
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-methylprop-2-enoxymethyl)furan?
The IUPAC name of 3-(2-methylprop-2-enoxymethyl)furan (CID 135083642) is 3-(2-methylprop-2-enoxymethyl)furan.
What is the SMILES notation for 3-(2-methylprop-2-enoxymethyl)furan?
The canonical SMILES for 3-(2-methylprop-2-enoxymethyl)furan is C=C(C)COCc1ccoc1.
What is the InChIKey of 3-(2-methylprop-2-enoxymethyl)furan?
The InChIKey is QYGDSCGOKGOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8(2)5-11-7-9-3-4-10-6-9/h3-4,6H,1,5,7H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoxymethyl)furan?
3-(2-methylprop-2-enoxymethyl)furan has a molecular weight of 152.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxymethyl)furan is sourced from PubChem (CID 135083642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).