2-(3-methylbut-1-ynyl)furan

C9H10O — CID 59202131

IUPAC2-(3-methylbut-1-ynyl)furan
SMILESCC(C)C#Cc1ccco1
InChIInChI=1S/C9H10O/c1-8(2)5-6-9-4-3-7-10-9/h3-4,7-8H,1-2H3
InChIKeyLGXOEJOSMIVQQS-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.29
Rot. Bonds

About 2-(3-methylbut-1-ynyl)furan

2-(3-methylbut-1-ynyl)furan (PubChem CID 59202131) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(3-methylbut-1-ynyl)furan.

Molecular Properties

Compound Name2-(3-methylbut-1-ynyl)furan
PubChem CID59202131
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2-(3-methylbut-1-ynyl)furan
SMILESCC(C)C#Cc1ccco1
InChIInChI=1S/C9H10O/c1-8(2)5-6-9-4-3-7-10-9/h3-4,7-8H,1-2H3
InChIKeyLGXOEJOSMIVQQS-UHFFFAOYSA-N
XLogP2.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)pent-1-yn-3-amine
CID 106225778
1-(furan-2-yl)pent-1-yn-3-ol
CID 102085937
3-(furan-2-yl)prop-2-ynenitrile
CID 12540466
CID 177435780
CID 177435780
4-[2-(furan-2-yl)ethynyl]-2,6-dimethylpyridine
CID 129041643
6-(furan-2-yl)hex-5-yn-2-one
CID 125495347
ethane;methane;tris(furan-2-yl)-methylphosphanium
CID 171527854
2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
CID 101416013
7-(furan-2-yl)hept-6-yn-2-one
CID 101478956
2-[2-(furan-2-yl)ethynyl]benzaldehyde
CID 10821708
2-(furan-2-yl)propanethial
CID 54309432
2-(furan-2-yl)ethynyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16713273

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-ynyl)furan?
The IUPAC name of 2-(3-methylbut-1-ynyl)furan (CID 59202131) is 2-(3-methylbut-1-ynyl)furan.
What is the SMILES notation for 2-(3-methylbut-1-ynyl)furan?
The canonical SMILES for 2-(3-methylbut-1-ynyl)furan is CC(C)C#Cc1ccco1.
What is the InChIKey of 2-(3-methylbut-1-ynyl)furan?
The InChIKey is LGXOEJOSMIVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-8(2)5-6-9-4-3-7-10-9/h3-4,7-8H,1-2H3.
What are the key properties of 2-(3-methylbut-1-ynyl)furan?
2-(3-methylbut-1-ynyl)furan has a molecular weight of 134.18 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-ynyl)furan is sourced from PubChem (CID 59202131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).