ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene

C17H22 — CID 143520012

IUPACethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
SMILESC=CC1=C(/C=C\C)c2cccc(C)c2C1.CC
InChIInChI=1S/C15H16.C2H6/c1-4-7-13-12(5-2)10-15-11(3)8-6-9-14(13)15;1-2/h4-9H,2,10H2,1,3H3;1-2H3/b7-4-;
InChIKeyMCMQFTTYKKWOQZ-ZULQGGHCSA-N
MW226.36 g/mol
LogP5.09
Rot. Bonds2

About ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene

ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene (PubChem CID 143520012) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene.

Molecular Properties

Compound Nameethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
PubChem CID143520012
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Nameethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
SMILESC=CC1=C(/C=C\C)c2cccc(C)c2C1.CC
InChIInChI=1S/C15H16.C2H6/c1-4-7-13-12(5-2)10-15-11(3)8-6-9-14(13)15;1-2/h4-9H,2,10H2,1,3H3;1-2H3/b7-4-;
InChIKeyMCMQFTTYKKWOQZ-ZULQGGHCSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
N-[4-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-4-yl]phenyl]-N-[4-[3-methyl-4-[(3E,5Z)-4-methylhepta-3,5-dien-3-yl]-2-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 145354931
2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
CID 142424522
(3E)-3-[(Z)-but-2-enylidene]-7-methyl-2-methylidene-1H-indene
CID 144820890
(8Z,10Z)-8,9-bis(ethenyl)-11-methyl-10-[(Z)-prop-1-enyl]tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159429111
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
5,6-bis(ethenyl)-7H-cyclopenta[b]pyridine;ethane
CID 145072090
4-methyl-3H-indene-1,2-dione
CID 561993
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine
CID 143596104
1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057517

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene?
The IUPAC name of ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene (CID 143520012) is ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene.
What is the SMILES notation for ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene?
The canonical SMILES for ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene is C=CC1=C(/C=C\C)c2cccc(C)c2C1.CC.
What is the InChIKey of ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene?
The InChIKey is MCMQFTTYKKWOQZ-ZULQGGHCSA-N. The full InChI is InChI=1S/C15H16.C2H6/c1-4-7-13-12(5-2)10-15-11(3)8-6-9-14(13)15;1-2/h4-9H,2,10H2,1,3H3;1-2H3/b7-4-;.
What are the key properties of ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene?
ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene has a molecular weight of 226.36 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene is sourced from PubChem (CID 143520012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).