(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane

C25H30 — CID 143027804

IUPAC(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane
SMILESC=C/C=C1/C(C=C)=C(C=C)C2(Cc3ccccc3C2)/C1=C/CC.CC
InChIInChI=1S/C23H24.C2H6/c1-5-11-20-19(7-3)21(8-4)23(22(20)12-6-2)15-17-13-9-10-14-18(17)16-23;1-2/h5,7-14H,1,3-4,6,15-16H2,2H3;1-2H3/b20-11-,22-12+;
InChIKeySYZQFFADTGEBLJ-KGNHYKGKSA-N
MW330.52 g/mol
LogP6.93
Rot. Bonds4

About (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane

(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane (PubChem CID 143027804) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane.

Molecular Properties

Compound Name(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane
PubChem CID143027804
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane
SMILESC=C/C=C1/C(C=C)=C(C=C)C2(Cc3ccccc3C2)/C1=C/CC.CC
InChIInChI=1S/C23H24.C2H6/c1-5-11-20-19(7-3)21(8-4)23(22(20)12-6-2)15-17-13-9-10-14-18(17)16-23;1-2/h5,7-14H,1,3-4,6,15-16H2,2H3;1-2H3/b20-11-,22-12+;
InChIKeySYZQFFADTGEBLJ-KGNHYKGKSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane?
The IUPAC name of (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane (CID 143027804) is (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane.
What is the SMILES notation for (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane?
The canonical SMILES for (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane is C=C/C=C1/C(C=C)=C(C=C)C2(Cc3ccccc3C2)/C1=C/CC.CC.
What is the InChIKey of (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane?
The InChIKey is SYZQFFADTGEBLJ-KGNHYKGKSA-N. The full InChI is InChI=1S/C23H24.C2H6/c1-5-11-20-19(7-3)21(8-4)23(22(20)12-6-2)15-17-13-9-10-14-18(17)16-23;1-2/h5,7-14H,1,3-4,6,15-16H2,2H3;1-2H3/b20-11-,22-12+;.
What are the key properties of (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane?
(4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane has a molecular weight of 330.52 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4'Z,5'E)-1',2'-bis(ethenyl)-5'-prop-2-enylidene-4'-propylidenespiro[1,3-dihydroindene-2,3'-cyclopentene];ethane is sourced from PubChem (CID 143027804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).