1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate

C23H30O2 — CID 145008734

IUPAC1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate
SMILESC=CC1=C(C=C)c2ccc(C(C)OC(=O)C(C)(C)C(C)(C)C)cc2C1
InChIInChI=1S/C23H30O2/c1-9-16-13-18-14-17(11-12-20(18)19(16)10-2)15(3)25-21(24)23(7,8)22(4,5)6/h9-12,14-15H,1-2,13H2,3-8H3
InChIKeyAZBNSFMZBRTDDA-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.04
Rot. Bonds5

About 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate

1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate (PubChem CID 145008734) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate
PubChem CID145008734
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate
SMILESC=CC1=C(C=C)c2ccc(C(C)OC(=O)C(C)(C)C(C)(C)C)cc2C1
InChIInChI=1S/C23H30O2/c1-9-16-13-18-14-17(11-12-20(18)19(16)10-2)15(3)25-21(24)23(7,8)22(4,5)6/h9-12,14-15H,1-2,13H2,3-8H3
InChIKeyAZBNSFMZBRTDDA-UHFFFAOYSA-N
XLogP6.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane
CID 144703706
2-ethenyl-6-[(3E)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]-1H-indene
CID 142424522
bis(1-phenylethyl) 2-methyl-2-prop-1-enylpropanedioate
CID 140996033
tert-butyl N-[(1S)-1-(4-ethenylphenyl)ethyl]-N-methylcarbamate
CID 143714683
1-(3,4-diethylphenyl)ethyl 2-tert-butyl-4,4-dimethylpentanoate
CID 144690622
6-[1-(1,2-dimethyl-3H-inden-5-yl)ethyl]-2,3-dimethyl-1H-indene
CID 173293651
1-(3,4-dinitrophenyl)ethyl prop-2-enoate
CID 88709141
1-[4-(2,2-dimethylpropylamino)phenyl]ethyl 2,2-dimethylpropanoate
CID 158338818
tert-butyl N-[3-(9H-fluoren-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170833105
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
2-formyloxy-3-(2,2,3,3-tetramethylbutanoyloxy)butanedioic acid
CID 134244185
1-phenylethyl prop-2-enoate
CID 175321764

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate?
The IUPAC name of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate (CID 145008734) is 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate is C=CC1=C(C=C)c2ccc(C(C)OC(=O)C(C)(C)C(C)(C)C)cc2C1.
What is the InChIKey of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate?
The InChIKey is AZBNSFMZBRTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-9-16-13-18-14-17(11-12-20(18)19(16)10-2)15(3)25-21(24)23(7,8)22(4,5)6/h9-12,14-15H,1-2,13H2,3-8H3.
What are the key properties of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate?
1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate has a molecular weight of 338.49 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 145008734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).