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

C24H34O2 — CID 144703706

IUPAC1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane
SMILESC=CC1=C(C=C)c2ccc(C(C)OC(=O)C(C)C(C)(C)C)cc2C1.CC
InChIInChI=1S/C22H28O2.C2H6/c1-8-16-12-18-13-17(10-11-20(18)19(16)9-2)15(4)24-21(23)14(3)22(5,6)7;1-2/h8-11,13-15H,1-2,12H2,3-7H3;1-2H3
InChIKeyUTEPSIPEINJWKK-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.68
Rot. Bonds5

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

1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane (PubChem CID 144703706) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane.

Molecular Properties

Compound Name1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane
PubChem CID144703706
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane
SMILESC=CC1=C(C=C)c2ccc(C(C)OC(=O)C(C)C(C)(C)C)cc2C1.CC
InChIInChI=1S/C22H28O2.C2H6/c1-8-16-12-18-13-17(10-11-20(18)19(16)9-2)15(4)24-21(23)14(3)22(5,6)7;1-2/h8-11,13-15H,1-2,12H2,3-7H3;1-2H3
InChIKeyUTEPSIPEINJWKK-UHFFFAOYSA-N
XLogP6.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane?
The IUPAC name of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane (CID 144703706) is 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane.
What is the SMILES notation for 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane?
The canonical SMILES for 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane is C=CC1=C(C=C)c2ccc(C(C)OC(=O)C(C)C(C)(C)C)cc2C1.CC.
What is the InChIKey of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane?
The InChIKey is UTEPSIPEINJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2.C2H6/c1-8-16-12-18-13-17(10-11-20(18)19(16)9-2)15(4)24-21(23)14(3)22(5,6)7;1-2/h8-11,13-15H,1-2,12H2,3-7H3;1-2H3.
What are the key properties of 1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane?
1-[1,2-bis(ethenyl)-3H-inden-5-yl]ethyl 2,3,3-trimethylbutanoate;ethane has a molecular weight of 354.53 g/mol, XLogP of 6.68, 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 2,3,3-trimethylbutanoate;ethane is sourced from PubChem (CID 144703706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).