2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran

C12H16O — CID 170615832

IUPAC2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran
SMILESC=Cc1oc(C(C)C)c(C)c1C=C
InChIInChI=1S/C12H16O/c1-6-10-9(5)12(8(3)4)13-11(10)7-2/h6-8H,1-2H2,3-5H3
InChIKeyIACLQQLCNXJNSW-UHFFFAOYSA-N
MW176.26 g/mol
LogP4.00
Rot. Bonds3

About 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran

2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran (PubChem CID 170615832) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran
PubChem CID170615832
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran
SMILESC=Cc1oc(C(C)C)c(C)c1C=C
InChIInChI=1S/C12H16O/c1-6-10-9(5)12(8(3)4)13-11(10)7-2/h6-8H,1-2H2,3-5H3
InChIKeyIACLQQLCNXJNSW-UHFFFAOYSA-N
XLogP4.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4,5-bis(ethenyl)-3-methylfuran-2-yl]propan-1-amine
CID 167466495
3-ethenyl-2,4,5-trimethylfuran
CID 167164400
5,6-bis(ethenyl)-4-methylpyran-2-one
CID 134344614
[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite
CID 143579072
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
2,3-bis(ethenyl)-5,7-dimethyl-1-benzofuran
CID 123553772
2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
CID 142450771
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 144612981
3-ethenyl-6-propan-2-ylbenzene-1,2,4,5-tetracarbonitrile
CID 166662907
3,4-bis(ethenyl)-2,5-dimethylidenefuran
CID 177233703
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624
3,4-bis(ethenyl)-5-methyl-2-propan-2-ylpyridine
CID 145358810

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran?
The IUPAC name of 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran (CID 170615832) is 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran.
What is the SMILES notation for 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran?
The canonical SMILES for 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran is C=Cc1oc(C(C)C)c(C)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran?
The InChIKey is IACLQQLCNXJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-6-10-9(5)12(8(3)4)13-11(10)7-2/h6-8H,1-2H2,3-5H3.
What are the key properties of 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran?
2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran has a molecular weight of 176.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-methyl-5-propan-2-ylfuran is sourced from PubChem (CID 170615832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).