4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne

C16H24O2 — CID 159136545

IUPAC4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne
SMILESC#CC(C)(C)OCC=C.C=CC1=CCOC1(C)C
InChIInChI=1S/2C8H12O/c1-4-7-5-6-9-8(7,2)3;1-5-7-9-8(3,4)6-2/h4-5H,1,6H2,2-3H3;2,5H,1,7H2,3-4H3
InChIKeyKHOGHFGQCGQEQD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.51
Rot. Bonds4

About 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne

4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne (PubChem CID 159136545) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne.

Molecular Properties

Compound Name4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne
PubChem CID159136545
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne
SMILESC#CC(C)(C)OCC=C.C=CC1=CCOC1(C)C
InChIInChI=1S/2C8H12O/c1-4-7-5-6-9-8(7,2)3;1-5-7-9-8(3,4)6-2/h4-5H,1,6H2,2-3H3;2,5H,1,7H2,3-4H3
InChIKeyKHOGHFGQCGQEQD-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Vinylpropargylallyl ether
CID 129859705
4-ethenyl-5,5-dimethyl-2H-furan
CID 21134276
5-Methyl-5-(3-methylbut-2-enoxy)-2-prop-2-ynoxycyclohexa-1,3-diene
CID 88799744
3-But-2-enyl-6-(3-ethenylhepta-1,5-dien-3-yloxy)cycloocta-1,2,4-trien-7-yne
CID 123398958
5-Methyl-5-prop-2-ynoxycyclohexa-1,3-diene
CID 141722614
(3E)-3-(2-methylbut-3-yn-2-yloxymethyl)hexa-1,3,5-triene
CID 145450044
3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]-2H-furan
CID 153538996
5-ethenyl-2-methyl-3,6-dihydro-2H-pyran;4-prop-2-ynoxypent-1-ene
CID 157894929
(3Z,5Z)-5-ethenyl-2-prop-2-ynoxy-4-[(E)-2-prop-2-ynoxyprop-1-enyl]hepta-1,3,5-triene
CID 167266185
5-Ethoxy-2-[2-(4-ethoxy-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-5-methylcyclohexa-1,3-diene
CID 176108546
1-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-diene
CID 102237620
3-Ethynyl-2-(methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237622

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne?
The IUPAC name of 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne (CID 159136545) is 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne.
What is the SMILES notation for 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne?
The canonical SMILES for 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne is C#CC(C)(C)OCC=C.C=CC1=CCOC1(C)C.
What is the InChIKey of 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne?
The InChIKey is KHOGHFGQCGQEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O/c1-4-7-5-6-9-8(7,2)3;1-5-7-9-8(3,4)6-2/h4-5H,1,6H2,2-3H3;2,5H,1,7H2,3-4H3.
What are the key properties of 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne?
4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne has a molecular weight of 248.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5,5-dimethyl-2H-furan;3-methyl-3-prop-2-enoxybut-1-yne is sourced from PubChem (CID 159136545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).