1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene

C16H26 — CID 168720483

IUPAC1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene
SMILESC/C=C(\C)CCC1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H26/c1-8-11(2)9-10-16(7)14(5)12(3)13(4)15(16)6/h8H,9-10H2,1-7H3/b11-8+
InChIKeyKKSXIJBYNJBWDV-DHZHZOJOSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds3

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

1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene (PubChem CID 168720483) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene
PubChem CID168720483
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene
SMILESC/C=C(\C)CCC1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H26/c1-8-11(2)9-10-16(7)14(5)12(3)13(4)15(16)6/h8H,9-10H2,1-7H3/b11-8+
InChIKeyKKSXIJBYNJBWDV-DHZHZOJOSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
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-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene (CID 168720483) is 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene is C/C=C(\C)CCC1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene?
The InChIKey is KKSXIJBYNJBWDV-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H26/c1-8-11(2)9-10-16(7)14(5)12(3)13(4)15(16)6/h8H,9-10H2,1-7H3/b11-8+.
What are the key properties of 1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene?
1,2,3,4,5-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene has a molecular weight of 218.38 g/mol, XLogP of 5.43, 3 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-pentamethyl-5-[(E)-3-methylpent-3-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 168720483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).