1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene

C18H30 — CID 10083293

IUPAC1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC/C=C/C1(CC)C(CC)=C(CC)C(CC)=C1CC
InChIInChI=1S/C18H30/c1-7-13-18(12-6)16(10-4)14(8-2)15(9-3)17(18)11-5/h7,13H,8-12H2,1-6H3/b13-7+
InChIKeyODUXUXAFWOUTJF-NTUHNPAUSA-N
MW246.44 g/mol
LogP6.21
Rot. Bonds6

About 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene

1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 10083293) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene
PubChem CID10083293
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC/C=C/C1(CC)C(CC)=C(CC)C(CC)=C1CC
InChIInChI=1S/C18H30/c1-7-13-18(12-6)16(10-4)14(8-2)15(9-3)17(18)11-5/h7,13H,8-12H2,1-6H3/b13-7+
InChIKeyODUXUXAFWOUTJF-NTUHNPAUSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene (CID 10083293) is 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene is C/C=C/C1(CC)C(CC)=C(CC)C(CC)=C1CC.
What is the InChIKey of 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is ODUXUXAFWOUTJF-NTUHNPAUSA-N. The full InChI is InChI=1S/C18H30/c1-7-13-18(12-6)16(10-4)14(8-2)15(9-3)17(18)11-5/h7,13H,8-12H2,1-6H3/b13-7+.
What are the key properties of 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene?
1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 246.44 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentaethyl-5-[(E)-prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 10083293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).