3,3-dimethylbut-1-ene;2,2-dimethylpropane

C11H24 — CID 162278792

IUPAC3,3-dimethylbut-1-ene;2,2-dimethylpropane
SMILESC=CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/C6H12.C5H12/c1-5-6(2,3)4;1-5(2,3)4/h5H,1H2,2-4H3;1-4H3
InChIKeyTZWZVQRIQGGACT-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.27
Rot. Bonds

About 3,3-dimethylbut-1-ene;2,2-dimethylpropane

3,3-dimethylbut-1-ene;2,2-dimethylpropane (PubChem CID 162278792) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 3,3-dimethylbut-1-ene;2,2-dimethylpropane.

Molecular Properties

Compound Name3,3-dimethylbut-1-ene;2,2-dimethylpropane
PubChem CID162278792
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name3,3-dimethylbut-1-ene;2,2-dimethylpropane
SMILESC=CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/C6H12.C5H12/c1-5-6(2,3)4;1-5(2,3)4/h5H,1H2,2-4H3;1-4H3
InChIKeyTZWZVQRIQGGACT-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
2,2-dimethylpropane;ethane;ethene
CID 143720811
(4E)-3,3,6,6-tetramethylhepta-1,4-diene
CID 142855106
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854
3-methanidyl-3-methylbut-1-ene
CID 91253785
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
CID 174863450
3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
CID 162304109
CID 168724040
CID 168724040
ethene;tetrakis(prop-1-ene)
CID 158667737
3,3,6,6,9,9-hexamethyldeca-1,7-diene
CID 123209288

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbut-1-ene;2,2-dimethylpropane?
The IUPAC name of 3,3-dimethylbut-1-ene;2,2-dimethylpropane (CID 162278792) is 3,3-dimethylbut-1-ene;2,2-dimethylpropane.
What is the SMILES notation for 3,3-dimethylbut-1-ene;2,2-dimethylpropane?
The canonical SMILES for 3,3-dimethylbut-1-ene;2,2-dimethylpropane is C=CC(C)(C)C.CC(C)(C)C.
What is the InChIKey of 3,3-dimethylbut-1-ene;2,2-dimethylpropane?
The InChIKey is TZWZVQRIQGGACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H12/c1-5-6(2,3)4;1-5(2,3)4/h5H,1H2,2-4H3;1-4H3.
What are the key properties of 3,3-dimethylbut-1-ene;2,2-dimethylpropane?
3,3-dimethylbut-1-ene;2,2-dimethylpropane has a molecular weight of 156.31 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-ene;2,2-dimethylpropane is sourced from PubChem (CID 162278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).