2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene

C18H22 — CID 177033619

IUPAC2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
SMILESC=CC1=C(/C=C\C)c2ccccc2C1(C)C(C)C
InChIInChI=1S/C18H22/c1-6-10-14-15-11-8-9-12-17(15)18(5,13(3)4)16(14)7-2/h6-13H,2H2,1,3-5H3/b10-6-
InChIKeyUWZRZMYMAPQTQW-POHAHGRESA-N
MW238.37 g/mol
LogP5.13
Rot. Bonds3

About 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene

2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene (PubChem CID 177033619) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene.

Molecular Properties

Compound Name2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
PubChem CID177033619
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
SMILESC=CC1=C(/C=C\C)c2ccccc2C1(C)C(C)C
InChIInChI=1S/C18H22/c1-6-10-14-15-11-8-9-12-17(15)18(5,13(3)4)16(14)7-2/h6-13H,2H2,1,3-5H3/b10-6-
InChIKeyUWZRZMYMAPQTQW-POHAHGRESA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine
CID 70906139
3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene
CID 144696591
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]
CID 143027845
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
CID 123379297
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
1,2'-bis[(1Z)-buta-1,3-dienyl]-2,3'-bis(ethenyl)-3-methyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
CID 174069889

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
The IUPAC name of 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene (CID 177033619) is 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene.
What is the SMILES notation for 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
The canonical SMILES for 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene is C=CC1=C(/C=C\C)c2ccccc2C1(C)C(C)C.
What is the InChIKey of 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
The InChIKey is UWZRZMYMAPQTQW-POHAHGRESA-N. The full InChI is InChI=1S/C18H22/c1-6-10-14-15-11-8-9-12-17(15)18(5,13(3)4)16(14)7-2/h6-13H,2H2,1,3-5H3/b10-6-.
What are the key properties of 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene has a molecular weight of 238.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene is sourced from PubChem (CID 177033619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).