2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one

C30H66O3 — CID 158395536

IUPAC2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one
SMILESC.CC(C)(C)O.CC(C)C(C)(C)C.CC(C)C(C)C.CC1CC(C)(C)OC1=O.CC=C(C)C
InChIInChI=1S/C7H12O2.C7H16.C6H14.C5H10.C4H10O.CH4/c1-5-4-7(2,3)9-6(5)8;1-6(2)7(3,4)5;1-5(2)6(3)4;1-4-5(2)3;1-4(2,3)5;/h5H,4H2,1-3H3;6H,1-5H3;5-6H,1-4H3;4H,1-3H3;5H,1-3H3;1H4
InChIKeyGXMPLEGMVUEVEU-UHFFFAOYSA-N
MW474.86 g/mol
LogP9.72
Rot. Bonds1

About 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one

2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one (PubChem CID 158395536) has the molecular formula C30H66O3 and a molecular weight of 474.86 g/mol. Its IUPAC name is 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one.

Molecular Properties

Compound Name2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one
PubChem CID158395536
Molecular FormulaC30H66O3
Molecular Weight474.86 g/mol
Exact Mass474.50
IUPAC Name2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one
SMILESC.CC(C)(C)O.CC(C)C(C)(C)C.CC(C)C(C)C.CC1CC(C)(C)OC1=O.CC=C(C)C
InChIInChI=1S/C7H12O2.C7H16.C6H14.C5H10.C4H10O.CH4/c1-5-4-7(2,3)9-6(5)8;1-6(2)7(3,4)5;1-5(2)6(3)4;1-4-5(2)3;1-4(2,3)5;/h5H,4H2,1-3H3;6H,1-5H3;5-6H,1-4H3;4H,1-3H3;5H,1-3H3;1H4
InChIKeyGXMPLEGMVUEVEU-UHFFFAOYSA-N
XLogP9.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 59.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5,5-di(propan-2-yl)oxolan-2-one
CID 15522304
3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
[1-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]prop-1-en-2-ylamino]thiourea
CID 7006181
2-[(3S,5R)-2,3,5-trimethyl-6-oxooxan-2-yl]propanoic acid
CID 134856413
4,5-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 539051
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
5-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-7-hydroxy-1-methylbicyclo[2.2.2]octan-2-one
CID 117070481
3-[4-[(E,4R,5S)-5-hydroxy-4-methylhex-1-enyl]phenyl]sulfanyl-5,5-dimethyloxolan-2-one
CID 58883204
3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
CID 11182979
2-(5,5-dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one
CID 139987843
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one?
The IUPAC name of 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one (CID 158395536) is 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one.
What is the SMILES notation for 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one?
The canonical SMILES for 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one is C.CC(C)(C)O.CC(C)C(C)(C)C.CC(C)C(C)C.CC1CC(C)(C)OC1=O.CC=C(C)C.
What is the InChIKey of 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one?
The InChIKey is GXMPLEGMVUEVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C7H16.C6H14.C5H10.C4H10O.CH4/c1-5-4-7(2,3)9-6(5)8;1-6(2)7(3,4)5;1-5(2)6(3)4;1-4-5(2)3;1-4(2,3)5;/h5H,4H2,1-3H3;6H,1-5H3;5-6H,1-4H3;4H,1-3H3;5H,1-3H3;1H4.
What are the key properties of 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one?
2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one has a molecular weight of 474.86 g/mol, XLogP of 9.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;methane;2-methylbut-2-ene;2-methylpropan-2-ol;2,2,3-trimethylbutane;3,5,5-trimethyloxolan-2-one is sourced from PubChem (CID 158395536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).