[(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene

C22H26 — CID 153369453

IUPAC[(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene
SMILESC=CC1=C(/C=C\C)C(c2ccccc2)(C(C)C)C(=C)/C1=C\C
InChIInChI=1S/C22H26/c1-7-13-21-20(9-3)19(8-2)17(6)22(21,16(4)5)18-14-11-10-12-15-18/h7-16H,3,6H2,1-2,4-5H3/b13-7-,19-8+
InChIKeyHCAJQQHFETVVOR-UIERBKEYSA-N
MW290.45 g/mol
LogP6.16
Rot. Bonds4

About [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene

[(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene (PubChem CID 153369453) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene.

Molecular Properties

Compound Name[(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene
PubChem CID153369453
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name[(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene
SMILESC=CC1=C(/C=C\C)C(c2ccccc2)(C(C)C)C(=C)/C1=C\C
InChIInChI=1S/C22H26/c1-7-13-21-20(9-3)19(8-2)17(6)22(21,16(4)5)18-14-11-10-12-15-18/h7-16H,3,6H2,1-2,4-5H3/b13-7-,19-8+
InChIKeyHCAJQQHFETVVOR-UIERBKEYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene?
The IUPAC name of [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene (CID 153369453) is [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene.
What is the SMILES notation for [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene?
The canonical SMILES for [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene is C=CC1=C(/C=C\C)C(c2ccccc2)(C(C)C)C(=C)/C1=C\C.
What is the InChIKey of [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene?
The InChIKey is HCAJQQHFETVVOR-UIERBKEYSA-N. The full InChI is InChI=1S/C22H26/c1-7-13-21-20(9-3)19(8-2)17(6)22(21,16(4)5)18-14-11-10-12-15-18/h7-16H,3,6H2,1-2,4-5H3/b13-7-,19-8+.
What are the key properties of [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene?
[(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene has a molecular weight of 290.45 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-3-ethenyl-4-ethylidene-5-methylidene-1-propan-2-yl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]benzene is sourced from PubChem (CID 153369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).