ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene

C18H26 — CID 145055342

IUPACethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene
SMILESC=C/C=C(\C=C)C1(C2=CCC=C2)CCCC1.CC
InChIInChI=1S/C16H20.C2H6/c1-3-9-14(4-2)16(12-7-8-13-16)15-10-5-6-11-15;1-2/h3-5,9-11H,1-2,6-8,12-13H2;1-2H3/b14-9+;
InChIKeyCIYLMNZSQOOQSB-KYIGKLDSSA-N
MW242.41 g/mol
LogP5.76
Rot. Bonds4

About ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene

ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene (PubChem CID 145055342) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene
PubChem CID145055342
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene
SMILESC=C/C=C(\C=C)C1(C2=CCC=C2)CCCC1.CC
InChIInChI=1S/C16H20.C2H6/c1-3-9-14(4-2)16(12-7-8-13-16)15-10-5-6-11-15;1-2/h3-5,9-11H,1-2,6-8,12-13H2;1-2H3/b14-9+;
InChIKeyCIYLMNZSQOOQSB-KYIGKLDSSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene?
The IUPAC name of ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene (CID 145055342) is ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene.
What is the SMILES notation for ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene?
The canonical SMILES for ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene is C=C/C=C(\C=C)C1(C2=CCC=C2)CCCC1.CC.
What is the InChIKey of ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene?
The InChIKey is CIYLMNZSQOOQSB-KYIGKLDSSA-N. The full InChI is InChI=1S/C16H20.C2H6/c1-3-9-14(4-2)16(12-7-8-13-16)15-10-5-6-11-15;1-2/h3-5,9-11H,1-2,6-8,12-13H2;1-2H3/b14-9+;.
What are the key properties of ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene?
ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene is sourced from PubChem (CID 145055342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).