3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene

C17H22 — CID 156827147

IUPAC3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene
SMILESC=CC1=C(/C=C\C)C(C)(C)C2=C1CC(C)C=C2
InChIInChI=1S/C17H22/c1-6-8-15-13(7-2)14-11-12(3)9-10-16(14)17(15,4)5/h6-10,12H,2,11H2,1,3-5H3/b8-6-
InChIKeyBOEYTPPNSDXUBP-VURMDHGXSA-N
MW226.36 g/mol
LogP4.98
Rot. Bonds2

About 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene

3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene (PubChem CID 156827147) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene.

Molecular Properties

Compound Name3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene
PubChem CID156827147
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene
SMILESC=CC1=C(/C=C\C)C(C)(C)C2=C1CC(C)C=C2
InChIInChI=1S/C17H22/c1-6-8-15-13(7-2)14-11-12(3)9-10-16(14)17(15,4)5/h6-10,12H,2,11H2,1,3-5H3/b8-6-
InChIKeyBOEYTPPNSDXUBP-VURMDHGXSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
CID 146669709
7-iodo-3,9,9-trimethyl-3,4-dihydrofluorene
CID 70876606
1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 145377797
3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indene
CID 142148041
2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene
CID 141114864
N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
ethane;3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indeno[5,4-b][1]benzofuran
CID 142288841
5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran
CID 139549028
7-ethenyl-6-[(Z)-prop-1-enyl]spiro[2.4]hept-6-ene
CID 144962487
1-ethenyl-3,3,4,4,5,5-hexafluoro-2-[(Z)-prop-1-enyl]cyclopentene
CID 142500496
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene
CID 142500255

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene?
The IUPAC name of 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene (CID 156827147) is 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene.
What is the SMILES notation for 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene?
The canonical SMILES for 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene is C=CC1=C(/C=C\C)C(C)(C)C2=C1CC(C)C=C2.
What is the InChIKey of 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene?
The InChIKey is BOEYTPPNSDXUBP-VURMDHGXSA-N. The full InChI is InChI=1S/C17H22/c1-6-8-15-13(7-2)14-11-12(3)9-10-16(14)17(15,4)5/h6-10,12H,2,11H2,1,3-5H3/b8-6-.
What are the key properties of 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene?
3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene has a molecular weight of 226.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene is sourced from PubChem (CID 156827147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).