1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene

C18H24 — CID 143620330

IUPAC1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
SMILESC/C=C/CC.C=C1C(=C)C(C)(C)c2ccccc21
InChIInChI=1S/C13H14.C5H10/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12;1-3-5-4-2/h5-8H,1-2H2,3-4H3;3,5H,4H2,1-2H3/b;5-3+
InChIKeyYFGKIYQUUMDKIT-GWDXERMASA-N
MW240.39 g/mol
LogP5.52
Rot. Bonds1

About 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene

1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene (PubChem CID 143620330) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene.

Molecular Properties

Compound Name1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
PubChem CID143620330
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
SMILESC/C=C/CC.C=C1C(=C)C(C)(C)c2ccccc21
InChIInChI=1S/C13H14.C5H10/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12;1-3-5-4-2/h5-8H,1-2H2,3-4H3;3,5H,4H2,1-2H3/b;5-3+
InChIKeyYFGKIYQUUMDKIT-GWDXERMASA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.52
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7-hexa-1,4-dien-2-yl-9,9-dimethylfluorene
CID 123148254
9,9-bis(but-1-enyl)fluorene;methane;propane
CID 162270307
N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 88942744
(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
CID 145077433
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674
(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene
CID 89170477
3-[(E)-but-2-enyl]-1,1-dimethylindene
CID 174296931
1,1-difluoro-2,3-dimethylideneindene
CID 123480642
buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane
CID 143060351
(2Z,3E)-3-ethylidene-1,1-dimethyl-2-(2-methylprop-2-enylidene)indene
CID 143938225
2-methylidene-3H-1-benzofuran;(Z)-pent-2-ene
CID 142896770
9-methyl-9-propylfluorene
CID 13283188

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene?
The IUPAC name of 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene (CID 143620330) is 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene.
What is the SMILES notation for 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene?
The canonical SMILES for 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene is C/C=C/CC.C=C1C(=C)C(C)(C)c2ccccc21.
What is the InChIKey of 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene?
The InChIKey is YFGKIYQUUMDKIT-GWDXERMASA-N. The full InChI is InChI=1S/C13H14.C5H10/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12;1-3-5-4-2/h5-8H,1-2H2,3-4H3;3,5H,4H2,1-2H3/b;5-3+.
What are the key properties of 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene?
1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene has a molecular weight of 240.39 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene is sourced from PubChem (CID 143620330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).