but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene

C21H50 — CID 142056608

IUPACbut-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
SMILESC=C.C=CC(C)(C)CC.C=CCC.CC.CC.CC.CC
InChIInChI=1S/C7H14.C4H8.4C2H6.C2H4/c1-5-7(3,4)6-2;1-3-4-2;5*1-2/h5H,1,6H2,2-4H3;3H,1,4H2,2H3;4*1-2H3;1-2H2
InChIKeyMTJSSOHEGAWNPQ-UHFFFAOYSA-N
MW302.63 g/mol
LogP9.10
Rot. Bonds3

About but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene

but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene (PubChem CID 142056608) has the molecular formula C21H50 and a molecular weight of 302.63 g/mol. Its IUPAC name is but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene.

Molecular Properties

Compound Namebut-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
PubChem CID142056608
Molecular FormulaC21H50
Molecular Weight302.63 g/mol
Exact Mass302.39
IUPAC Namebut-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
SMILESC=C.C=CC(C)(C)CC.C=CCC.CC.CC.CC.CC
InChIInChI=1S/C7H14.C4H8.4C2H6.C2H4/c1-5-7(3,4)6-2;1-3-4-2;5*1-2/h5H,1,6H2,2-4H3;3H,1,4H2,2H3;4*1-2H3;1-2H2
InChIKeyMTJSSOHEGAWNPQ-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.63
LogP ≤ 59.10
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

3,3-dimethylpent-1-ene;ethane
CID 142059460
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310
butane;but-1-ene;ethane;methanamine
CID 145230806
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
but-1-ene;ethane;pentane
CID 142205498
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
CID 174863450

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene?
The IUPAC name of but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene (CID 142056608) is but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene.
What is the SMILES notation for but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene?
The canonical SMILES for but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene is C=C.C=CC(C)(C)CC.C=CCC.CC.CC.CC.CC.
What is the InChIKey of but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene?
The InChIKey is MTJSSOHEGAWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C4H8.4C2H6.C2H4/c1-5-7(3,4)6-2;1-3-4-2;5*1-2/h5H,1,6H2,2-4H3;3H,1,4H2,2H3;4*1-2H3;1-2H2.
What are the key properties of but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene?
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene has a molecular weight of 302.63 g/mol, XLogP of 9.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene is sourced from PubChem (CID 142056608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).