buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane

C25H38 — CID 143060351

IUPACbuta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane
SMILESC=C=CC.C=CC1=C(C)c2ccccc2C1(C)C.C=CCC.CCC
InChIInChI=1S/C14H16.C4H8.C4H6.C3H8/c1-5-12-10(2)11-8-6-7-9-13(11)14(12,3)4;2*1-3-4-2;1-3-2/h5-9H,1H2,2-4H3;3H,1,4H2,2H3;4H,1H2,2H3;3H2,1-2H3
InChIKeyNJDVHWOHBSXMIG-UHFFFAOYSA-N
MW338.58 g/mol
LogP8.28
Rot. Bonds2

About buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane

buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane (PubChem CID 143060351) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane.

Molecular Properties

Compound Namebuta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane
PubChem CID143060351
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Namebuta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane
SMILESC=C=CC.C=CC1=C(C)c2ccccc2C1(C)C.C=CCC.CCC
InChIInChI=1S/C14H16.C4H8.C4H6.C3H8/c1-5-12-10(2)11-8-6-7-9-13(11)14(12,3)4;2*1-3-4-2;1-3-2/h5-9H,1H2,2-4H3;3H,1,4H2,2H3;4H,1H2,2H3;3H2,1-2H3
InChIKeyNJDVHWOHBSXMIG-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 58.28
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

2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene
CID 144803694
ethane;1,1,2,3-tetramethylindene
CID 90797870
2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]
CID 145291947
1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
CID 143620330
3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]
CID 123767727
2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
CID 154561467
2,3-bis(ethenyl)-1,1-diethylindene
CID 145133718
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
CID 142961405
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761

Frequently Asked Questions

What is the IUPAC name of buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane?
The IUPAC name of buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane (CID 143060351) is buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane.
What is the SMILES notation for buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane?
The canonical SMILES for buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane is C=C=CC.C=CC1=C(C)c2ccccc2C1(C)C.C=CCC.CCC.
What is the InChIKey of buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane?
The InChIKey is NJDVHWOHBSXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C4H8.C4H6.C3H8/c1-5-12-10(2)11-8-6-7-9-13(11)14(12,3)4;2*1-3-4-2;1-3-2/h5-9H,1H2,2-4H3;3H,1,4H2,2H3;4H,1H2,2H3;3H2,1-2H3.
What are the key properties of buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane?
buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane has a molecular weight of 338.58 g/mol, XLogP of 8.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane is sourced from PubChem (CID 143060351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).