5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one

C10H16O2 — CID 90274794

IUPAC5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one
SMILESCC1=C(CC(C)(C)C)OC(=O)C1
InChIInChI=1S/C10H16O2/c1-7-5-9(11)12-8(7)6-10(2,3)4/h5-6H2,1-4H3
InChIKeyDERSXWAHPIVAPD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.64
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one

5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one (PubChem CID 90274794) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one
PubChem CID90274794
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one
SMILESCC1=C(CC(C)(C)C)OC(=O)C1
InChIInChI=1S/C10H16O2/c1-7-5-9(11)12-8(7)6-10(2,3)4/h5-6H2,1-4H3
InChIKeyDERSXWAHPIVAPD-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-propyl-3H-furan-2-one
CID 139957122
4-methyl-5-(2-methylpropyl)-3H-furan-2-one
CID 58496929
2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one
CID 164791097
2-methyl-1,3-oxazine-4,6-dione
CID 58133366
4,5,6,7-tetramethyl-3H-1-benzofuran-2-one
CID 595374
4-(2,2-dimethylpropyl)furan-3-one
CID 118013504
6-tert-butylchromene-2,4-dione
CID 71723750
2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123215924
3-(2,4-dioxooxetan-3-ylidene)oxolane-2,5-dione
CID 163923906
(4E)-4-(3,3-dimethylbutylidene)oxolan-2-one
CID 132514423
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione
CID 16709545

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one (CID 90274794) is 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one is CC1=C(CC(C)(C)C)OC(=O)C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one?
The InChIKey is DERSXWAHPIVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-9(11)12-8(7)6-10(2,3)4/h5-6H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one?
5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-methyl-3H-furan-2-one is sourced from PubChem (CID 90274794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).