2,2-dimethylpropane;2-methylbut-1-ene

C10H22 — CID 143831735

IUPAC2,2-dimethylpropane;2-methylbut-1-ene
SMILESC=C(C)CC.CC(C)(C)C
InChIInChI=1S/C5H12.C5H10/c1-5(2,3)4;1-4-5(2)3/h1-4H3;2,4H2,1,3H3
InChIKeyRHJCWKKSUNUMOC-UHFFFAOYSA-N
MW142.29 g/mol
LogP4.02
Rot. Bonds1

About 2,2-dimethylpropane;2-methylbut-1-ene

2,2-dimethylpropane;2-methylbut-1-ene (PubChem CID 143831735) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-methylbut-1-ene.

Molecular Properties

Compound Name2,2-dimethylpropane;2-methylbut-1-ene
PubChem CID143831735
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name2,2-dimethylpropane;2-methylbut-1-ene
SMILESC=C(C)CC.CC(C)(C)C
InChIInChI=1S/C5H12.C5H10/c1-5(2,3)4;1-4-5(2)3/h1-4H3;2,4H2,1,3H3
InChIKeyRHJCWKKSUNUMOC-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 54.02
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

methane;bis(2-methylbut-1-ene)
CID 160529780
butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
but-1-ene;2-methylbut-1-ene
CID 90770104
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
propane;2,4,4-trimethylpent-1-ene
CID 145388380
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
CID 145442822

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-methylbut-1-ene?
The IUPAC name of 2,2-dimethylpropane;2-methylbut-1-ene (CID 143831735) is 2,2-dimethylpropane;2-methylbut-1-ene.
What is the SMILES notation for 2,2-dimethylpropane;2-methylbut-1-ene?
The canonical SMILES for 2,2-dimethylpropane;2-methylbut-1-ene is C=C(C)CC.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;2-methylbut-1-ene?
The InChIKey is RHJCWKKSUNUMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C5H10/c1-5(2,3)4;1-4-5(2)3/h1-4H3;2,4H2,1,3H3.
What are the key properties of 2,2-dimethylpropane;2-methylbut-1-ene?
2,2-dimethylpropane;2-methylbut-1-ene has a molecular weight of 142.29 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-methylbut-1-ene is sourced from PubChem (CID 143831735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).