1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene

C14H22 — CID 11987319

IUPAC1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene
SMILESC=CCCCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C14H22/c1-6-7-8-9-14-12(4)10(2)11(3)13(14)5/h6,14H,1,7-9H2,2-5H3
InChIKeyKEDTURQWTPVIBB-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds4

About 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene

1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene (PubChem CID 11987319) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene
PubChem CID11987319
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene
SMILESC=CCCCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C14H22/c1-6-7-8-9-14-12(4)10(2)11(3)13(14)5/h6,14H,1,7-9H2,2-5H3
InChIKeyKEDTURQWTPVIBB-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene (CID 11987319) is 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene is C=CCCCC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene?
The InChIKey is KEDTURQWTPVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-7-8-9-14-12(4)10(2)11(3)13(14)5/h6,14H,1,7-9H2,2-5H3.
What are the key properties of 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene?
1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-pent-4-enylcyclopenta-1,3-diene is sourced from PubChem (CID 11987319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).