ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene

C21H30 — CID 176927954

IUPACethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
SMILESC=CC1=C(/C=C\C)c2ccccc2C1(CC)C(C)C.CC
InChIInChI=1S/C19H24.C2H6/c1-6-11-15-16-12-9-10-13-18(16)19(8-3,14(4)5)17(15)7-2;1-2/h6-7,9-14H,2,8H2,1,3-5H3;1-2H3/b11-6-;
InChIKeyXEJNNZXPUXJUES-AVHZNCSWSA-N
MW282.47 g/mol
LogP6.55
Rot. Bonds4

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

ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene (PubChem CID 176927954) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene.

Molecular Properties

Compound Nameethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
PubChem CID176927954
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Nameethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
SMILESC=CC1=C(/C=C\C)c2ccccc2C1(CC)C(C)C.CC
InChIInChI=1S/C19H24.C2H6/c1-6-11-15-16-12-9-10-13-18(16)19(8-3,14(4)5)17(15)7-2;1-2/h6-7,9-14H,2,8H2,1,3-5H3;1-2H3/b11-6-;
InChIKeyXEJNNZXPUXJUES-AVHZNCSWSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
3-[1-[(Z)-but-2-enyl]-2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-yl]-N-methylbutan-2-amine;ethane;ethene
CID 144696591
9-ethyl-9-propan-2-ylfluorene
CID 142424661
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
2,3-bis(ethenyl)-1,1-diethylindene
CID 145133718
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
but-2-ene;ethane;2-ethenyl-3-methyl-1-pentan-2-yl-1-pent-4-enylindene
CID 144803694
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
(E)-2-[1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-2-yl]ethenamine
CID 70906139
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
The IUPAC name of ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene (CID 176927954) is ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene.
What is the SMILES notation for ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
The canonical SMILES for ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene is C=CC1=C(/C=C\C)c2ccccc2C1(CC)C(C)C.CC.
What is the InChIKey of ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
The InChIKey is XEJNNZXPUXJUES-AVHZNCSWSA-N. The full InChI is InChI=1S/C19H24.C2H6/c1-6-11-15-16-12-9-10-13-18(16)19(8-3,14(4)5)17(15)7-2;1-2/h6-7,9-14H,2,8H2,1,3-5H3;1-2H3/b11-6-;.
What are the key properties of ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene?
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene has a molecular weight of 282.47 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene is sourced from PubChem (CID 176927954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).