but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene

C30H50 — CID 144803694

IUPACbut-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene
SMILESC=CCCCC1(C(C)CCC)C(C=C)=C(C)c2ccccc21.CC.CC.CC=CC
InChIInChI=1S/C22H30.C4H8.2C2H6/c1-6-9-12-16-22(17(4)13-7-2)20(8-3)18(5)19-14-10-11-15-21(19)22;1-3-4-2;2*1-2/h6,8,10-11,14-15,17H,1,3,7,9,12-13,16H2,2,4-5H3;3-4H,1-2H3;2*1-2H3
InChIKeyYGVONDKBYAZNLW-UHFFFAOYSA-N
MW410.73 g/mol
LogP10.32
Rot. Bonds8

About but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene

but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene (PubChem CID 144803694) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene.

Molecular Properties

Compound Namebut-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene
PubChem CID144803694
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Namebut-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene
SMILESC=CCCCC1(C(C)CCC)C(C=C)=C(C)c2ccccc21.CC.CC.CC=CC
InChIInChI=1S/C22H30.C4H8.2C2H6/c1-6-9-12-16-22(17(4)13-7-2)20(8-3)18(5)19-14-10-11-15-21(19)22;1-3-4-2;2*1-2/h6,8,10-11,14-15,17H,1,3,7,9,12-13,16H2,2,4-5H3;3-4H,1-2H3;2*1-2H3
InChIKeyYGVONDKBYAZNLW-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene?
The IUPAC name of but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene (CID 144803694) is but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene.
What is the SMILES notation for but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene?
The canonical SMILES for but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene is C=CCCCC1(C(C)CCC)C(C=C)=C(C)c2ccccc21.CC.CC.CC=CC.
What is the InChIKey of but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene?
The InChIKey is YGVONDKBYAZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30.C4H8.2C2H6/c1-6-9-12-16-22(17(4)13-7-2)20(8-3)18(5)19-14-10-11-15-21(19)22;1-3-4-2;2*1-2/h6,8,10-11,14-15,17H,1,3,7,9,12-13,16H2,2,4-5H3;3-4H,1-2H3;2*1-2H3.
What are the key properties of but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene?
but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene has a molecular weight of 410.73 g/mol, XLogP of 10.32, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene is sourced from PubChem (CID 144803694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).