ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene

C20H30 — CID 142929947

IUPACethane;3-(3-ethenylhexyl)-5-methyl-1H-indene
SMILESC=CC(CCC)CCC1=CCc2ccc(C)cc21.CC
InChIInChI=1S/C18H24.C2H6/c1-4-6-15(5-2)8-10-17-12-11-16-9-7-14(3)13-18(16)17;1-2/h5,7,9,12-13,15H,2,4,6,8,10-11H2,1,3H3;1-2H3
InChIKeyRNWMCFNNXAYQNN-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.34
Rot. Bonds6

About ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene

ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene (PubChem CID 142929947) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene.

Molecular Properties

Compound Nameethane;3-(3-ethenylhexyl)-5-methyl-1H-indene
PubChem CID142929947
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Nameethane;3-(3-ethenylhexyl)-5-methyl-1H-indene
SMILESC=CC(CCC)CCC1=CCc2ccc(C)cc21.CC
InChIInChI=1S/C18H24.C2H6/c1-4-6-15(5-2)8-10-17-12-11-16-9-7-14(3)13-18(16)17;1-2/h5,7,9,12-13,15H,2,4,6,8,10-11H2,1,3H3;1-2H3
InChIKeyRNWMCFNNXAYQNN-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene?
The IUPAC name of ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene (CID 142929947) is ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene.
What is the SMILES notation for ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene?
The canonical SMILES for ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene is C=CC(CCC)CCC1=CCc2ccc(C)cc21.CC.
What is the InChIKey of ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene?
The InChIKey is RNWMCFNNXAYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C2H6/c1-4-6-15(5-2)8-10-17-12-11-16-9-7-14(3)13-18(16)17;1-2/h5,7,9,12-13,15H,2,4,6,8,10-11H2,1,3H3;1-2H3.
What are the key properties of ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene?
ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene has a molecular weight of 270.46 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene is sourced from PubChem (CID 142929947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).