12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene

C22H42 — CID 90838168

IUPAC12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene
SMILESCCCC(C)C=C(C)CCC=CC(C)C(CC)C(C)C(C)C
InChIInChI=1S/C22H42/c1-9-13-18(5)16-19(6)14-11-12-15-20(7)22(10-2)21(8)17(3)4/h12,15-18,20-22H,9-11,13-14H2,1-8H3
InChIKeyMZCMOLOOPDCYOP-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.66
Rot. Bonds11

About 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene

12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene (PubChem CID 90838168) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene.

Molecular Properties

Compound Name12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene
PubChem CID90838168
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene
SMILESCCCC(C)C=C(C)CCC=CC(C)C(CC)C(C)C(C)C
InChIInChI=1S/C22H42/c1-9-13-18(5)16-19(6)14-11-12-15-20(7)22(10-2)21(8)17(3)4/h12,15-18,20-22H,9-11,13-14H2,1-8H3
InChIKeyMZCMOLOOPDCYOP-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.66
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 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene?
The IUPAC name of 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene (CID 90838168) is 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene.
What is the SMILES notation for 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene?
The canonical SMILES for 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene is CCCC(C)C=C(C)CCC=CC(C)C(CC)C(C)C(C)C.
What is the InChIKey of 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene?
The InChIKey is MZCMOLOOPDCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-9-13-18(5)16-19(6)14-11-12-15-20(7)22(10-2)21(8)17(3)4/h12,15-18,20-22H,9-11,13-14H2,1-8H3.
What are the key properties of 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene?
12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene has a molecular weight of 306.58 g/mol, XLogP of 7.66, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-4,6,11,13,14-pentamethylpentadeca-5,9-diene is sourced from PubChem (CID 90838168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).