ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene

C18H28 — CID 142480313

IUPACethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=CC1=C(C=C)C(/C=C\C)=C(C=C)C1.CC.CC
InChIInChI=1S/C14H16.2C2H6/c1-5-9-14-12(7-3)10-11(6-2)13(14)8-4;2*1-2/h5-9H,2-4,10H2,1H3;2*1-2H3/b9-5-;;
InChIKeyOJUHPPONDSNZPD-XDYVNXDCSA-N
MW244.42 g/mol
LogP6.17
Rot. Bonds4

About ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene

ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 142480313) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
PubChem CID142480313
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Nameethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=CC1=C(C=C)C(/C=C\C)=C(C=C)C1.CC.CC
InChIInChI=1S/C14H16.2C2H6/c1-5-9-14-12(7-3)10-11(6-2)13(14)8-4;2*1-2/h5-9H,2-4,10H2,1H3;2*1-2H3/b9-5-;;
InChIKeyOJUHPPONDSNZPD-XDYVNXDCSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene (CID 142480313) is ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene is C=CC1=C(C=C)C(/C=C\C)=C(C=C)C1.CC.CC.
What is the InChIKey of ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is OJUHPPONDSNZPD-XDYVNXDCSA-N. The full InChI is InChI=1S/C14H16.2C2H6/c1-5-9-14-12(7-3)10-11(6-2)13(14)8-4;2*1-2/h5-9H,2-4,10H2,1H3;2*1-2H3/b9-5-;;.
What are the key properties of ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 244.42 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 142480313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).