2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]

C21H22S — CID 143027845

IUPAC2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]
SMILESC=CSC1=C(C)CC2(C1)C(C=C)=C(/C=C\C)c1ccccc12
InChIInChI=1S/C21H22S/c1-5-10-16-17-11-8-9-12-19(17)21(18(16)6-2)13-15(4)20(14-21)22-7-3/h5-12H,2-3,13-14H2,1,4H3/b10-5-
InChIKeyOUSKZVSEGRPORZ-YHYXMXQVSA-N
MW306.47 g/mol
LogP6.40
Rot. Bonds4

About 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]

2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene] (PubChem CID 143027845) has the molecular formula C21H22S and a molecular weight of 306.47 g/mol. Its IUPAC name is 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene].

Molecular Properties

Compound Name2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]
PubChem CID143027845
Molecular FormulaC21H22S
Molecular Weight306.47 g/mol
Exact Mass306.14
IUPAC Name2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]
SMILESC=CSC1=C(C)CC2(C1)C(C=C)=C(/C=C\C)c1ccccc12
InChIInChI=1S/C21H22S/c1-5-10-16-17-11-8-9-12-19(17)21(18(16)6-2)13-15(4)20(14-21)22-7-3/h5-12H,2-3,13-14H2,1,4H3/b10-5-
InChIKeyOUSKZVSEGRPORZ-YHYXMXQVSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]?
The IUPAC name of 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene] (CID 143027845) is 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene].
What is the SMILES notation for 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]?
The canonical SMILES for 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene] is C=CSC1=C(C)CC2(C1)C(C=C)=C(/C=C\C)c1ccccc12.
What is the InChIKey of 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]?
The InChIKey is OUSKZVSEGRPORZ-YHYXMXQVSA-N. The full InChI is InChI=1S/C21H22S/c1-5-10-16-17-11-8-9-12-19(17)21(18(16)6-2)13-15(4)20(14-21)22-7-3/h5-12H,2-3,13-14H2,1,4H3/b10-5-.
What are the key properties of 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene]?
2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene] has a molecular weight of 306.47 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethenyl-1-ethenylsulfanyl-2-methyl-3'-[(Z)-prop-1-enyl]spiro[cyclopentene-4,1'-indene] is sourced from PubChem (CID 143027845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).