buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane

C41H108 — CID 143721190

IUPACbuta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
SMILESC.C.C=C(C)CC.C=C=CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC.CCC.CCC.CCC
InChIInChI=1S/C5H10.C4H10.C4H6.4C3H8.7C2H6.2CH4/c1-4-5(2)3;1-4(2)3;1-3-4-2;4*1-3-2;7*1-2;;/h2,4H2,1,3H3;4H,1-3H3;4H,1H2,2H3;4*3H2,1-2H3;7*1-2H3;2*1H4
InChIKeyUZBDINYXYQIWRD-UHFFFAOYSA-N
MW601.32 g/mol
LogP19.10
Rot. Bonds1

About buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane

buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane (PubChem CID 143721190) has the molecular formula C41H108 and a molecular weight of 601.32 g/mol. Its IUPAC name is buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane.

Molecular Properties

Compound Namebuta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
PubChem CID143721190
Molecular FormulaC41H108
Molecular Weight601.32 g/mol
Exact Mass600.85
IUPAC Namebuta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
SMILESC.C.C=C(C)CC.C=C=CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC.CCC.CCC.CCC
InChIInChI=1S/C5H10.C4H10.C4H6.4C3H8.7C2H6.2CH4/c1-4-5(2)3;1-4(2)3;1-3-4-2;4*1-3-2;7*1-2;;/h2,4H2,1,3H3;4H,1-3H3;4H,1H2,2H3;4*3H2,1-2H3;7*1-2H3;2*1H4
InChIKeyUZBDINYXYQIWRD-UHFFFAOYSA-N
XLogP19.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.32
LogP ≤ 519.10
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

ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
methane;bis(2-methylbut-1-ene)
CID 160529780
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
butane;ethane;2-methylbut-1-ene
CID 142050807
ethane;ethene;methane;2-methylpropane;propane
CID 159536965
5-methyl-6,8-dimethylidenedeca-1,2-diene
CID 173443886
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
but-1-ene;2-methylbut-1-ene
CID 90770104
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
ethane;2-methylpropane;propane
CID 144940074
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
CID 145442822

Frequently Asked Questions

What is the IUPAC name of buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane?
The IUPAC name of buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane (CID 143721190) is buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane.
What is the SMILES notation for buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane?
The canonical SMILES for buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane is C.C.C=C(C)CC.C=C=CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC.CCC.CCC.CCC.
What is the InChIKey of buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane?
The InChIKey is UZBDINYXYQIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H10.C4H6.4C3H8.7C2H6.2CH4/c1-4-5(2)3;1-4(2)3;1-3-4-2;4*1-3-2;7*1-2;;/h2,4H2,1,3H3;4H,1-3H3;4H,1H2,2H3;4*3H2,1-2H3;7*1-2H3;2*1H4.
What are the key properties of buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane?
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane has a molecular weight of 601.32 g/mol, XLogP of 19.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane is sourced from PubChem (CID 143721190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).