methane;bis(2-methylbut-1-ene)

C12H28 — CID 160529780

IUPACmethane;bis(2-methylbut-1-ene)
SMILESC.C.C=C(C)CC.C=C(C)CC
InChIInChI=1S/2C5H10.2CH4/c2*1-4-5(2)3;;/h2*2,4H2,1,3H3;2*1H4
InChIKeyQVJSNUSEEDADHK-UHFFFAOYSA-N
MW172.36 g/mol
LogP5.22
Rot. Bonds2

About methane;bis(2-methylbut-1-ene)

methane;bis(2-methylbut-1-ene) (PubChem CID 160529780) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is methane;bis(2-methylbut-1-ene).

Molecular Properties

Compound Namemethane;bis(2-methylbut-1-ene)
PubChem CID160529780
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Namemethane;bis(2-methylbut-1-ene)
SMILESC.C.C=C(C)CC.C=C(C)CC
InChIInChI=1S/2C5H10.2CH4/c2*1-4-5(2)3;;/h2*2,4H2,1,3H3;2*1H4
InChIKeyQVJSNUSEEDADHK-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.36
LogP ≤ 55.22
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

butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
(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
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
methane;hexakis(2-methylpent-1-ene)
CID 175346690
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
CID 145442822
bis(2-methylprop-1-ene);propane
CID 159493997

Frequently Asked Questions

What is the IUPAC name of methane;bis(2-methylbut-1-ene)?
The IUPAC name of methane;bis(2-methylbut-1-ene) (CID 160529780) is methane;bis(2-methylbut-1-ene).
What is the SMILES notation for methane;bis(2-methylbut-1-ene)?
The canonical SMILES for methane;bis(2-methylbut-1-ene) is C.C.C=C(C)CC.C=C(C)CC.
What is the InChIKey of methane;bis(2-methylbut-1-ene)?
The InChIKey is QVJSNUSEEDADHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.2CH4/c2*1-4-5(2)3;;/h2*2,4H2,1,3H3;2*1H4.
What are the key properties of methane;bis(2-methylbut-1-ene)?
methane;bis(2-methylbut-1-ene) has a molecular weight of 172.36 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2-methylbut-1-ene) is sourced from PubChem (CID 160529780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).