2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]

C25H22O — CID 123379297

IUPAC2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
SMILESC=CC1=C(C=C)C2(C(C)=C(C=CC)c3ccccc32)c2ccccc2O1
InChIInChI=1S/C25H22O/c1-5-12-18-17(4)25(21-14-9-8-13-19(18)21)20(6-2)23(7-3)26-24-16-11-10-15-22(24)25/h5-16H,2-3H2,1,4H3
InChIKeyICLSNEMMIFATQL-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.35
Rot. Bonds3

About 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]

2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene] (PubChem CID 123379297) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene].

Molecular Properties

Compound Name2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
PubChem CID123379297
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]
SMILESC=CC1=C(C=C)C2(C(C)=C(C=CC)c3ccccc32)c2ccccc2O1
InChIInChI=1S/C25H22O/c1-5-12-18-17(4)25(21-14-9-8-13-19(18)21)20(6-2)23(7-3)26-24-16-11-10-15-22(24)25/h5-16H,2-3H2,1,4H3
InChIKeyICLSNEMMIFATQL-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]?
The IUPAC name of 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene] (CID 123379297) is 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene].
What is the SMILES notation for 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]?
The canonical SMILES for 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene] is C=CC1=C(C=C)C2(C(C)=C(C=CC)c3ccccc32)c2ccccc2O1.
What is the InChIKey of 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]?
The InChIKey is ICLSNEMMIFATQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-5-12-18-17(4)25(21-14-9-8-13-19(18)21)20(6-2)23(7-3)26-24-16-11-10-15-22(24)25/h5-16H,2-3H2,1,4H3.
What are the key properties of 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene]?
2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene] has a molecular weight of 338.45 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-2'-methyl-3'-prop-1-enylspiro[chromene-4,1'-indene] is sourced from PubChem (CID 123379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).