3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one

C10H10O2 — CID 10888228

IUPAC3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one
SMILESCC(C)=CC#CC1=CC(=O)OC1
InChIInChI=1S/C10H10O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,6H,7H2,1-2H3
InChIKeyRDAVHQFPWURCTN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.44
Rot. Bonds

About 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one

3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one (PubChem CID 10888228) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one
PubChem CID10888228
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one
SMILESCC(C)=CC#CC1=CC(=O)OC1
InChIInChI=1S/C10H10O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,6H,7H2,1-2H3
InChIKeyRDAVHQFPWURCTN-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3,3-dimethylacrylate
CID 12516
3-Methyl-2-butenyl 3-methyl-2-butenoate
CID 166302
2-Methylallyl 2-methylisocrotonate
CID 6437425
2-Butenoic acid, 2-methyl-, propyl ester, (Z)-
CID 6437044
2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-
CID 6437426
2(5H)-Furanone, 4-methyl-
CID 145832
Butyl 3-methyl-2-butenoate
CID 104679
Propyl tiglate
CID 5367762
2-Butenoic acid, 3-methyl-, 1,1'-anhydride
CID 98789
[(E)-dec-2-en-4,6-diynyl] 3-methylbut-2-enoate
CID 23757102
4-(Acetoxymethyl)-2(5H)-furanone
CID 149899
Dec-2-en-4,6-diynyl acetate
CID 78385189

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one?
The IUPAC name of 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one (CID 10888228) is 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one is CC(C)=CC#CC1=CC(=O)OC1.
What is the InChIKey of 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one?
The InChIKey is RDAVHQFPWURCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-8(2)4-3-5-9-6-10(11)12-7-9/h4,6H,7H2,1-2H3.
What are the key properties of 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one?
3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one has a molecular weight of 162.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-en-1-ynyl)-2H-furan-5-one is sourced from PubChem (CID 10888228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).