4,9,13,17-tetramethyloctadec-1-ene

C22H44 — CID 528455

IUPAC4,9,13,17-tetramethyloctadec-1-ene
SMILESC=CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H44/c1-7-12-20(4)14-8-9-15-21(5)17-11-18-22(6)16-10-13-19(2)3/h7,19-22H,1,8-18H2,2-6H3
InChIKeyHJYVYFBEGQOWKR-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.03
Rot. Bonds15

About 4,9,13,17-tetramethyloctadec-1-ene

4,9,13,17-tetramethyloctadec-1-ene (PubChem CID 528455) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 4,9,13,17-tetramethyloctadec-1-ene.

Molecular Properties

Compound Name4,9,13,17-tetramethyloctadec-1-ene
PubChem CID528455
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name4,9,13,17-tetramethyloctadec-1-ene
SMILESC=CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H44/c1-7-12-20(4)14-8-9-15-21(5)17-11-18-22(6)16-10-13-19(2)3/h7,19-22H,1,8-18H2,2-6H3
InChIKeyHJYVYFBEGQOWKR-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.03
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 4,9,13,17-tetramethyloctadec-1-ene?
The IUPAC name of 4,9,13,17-tetramethyloctadec-1-ene (CID 528455) is 4,9,13,17-tetramethyloctadec-1-ene.
What is the SMILES notation for 4,9,13,17-tetramethyloctadec-1-ene?
The canonical SMILES for 4,9,13,17-tetramethyloctadec-1-ene is C=CCC(C)CCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 4,9,13,17-tetramethyloctadec-1-ene?
The InChIKey is HJYVYFBEGQOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-7-12-20(4)14-8-9-15-21(5)17-11-18-22(6)16-10-13-19(2)3/h7,19-22H,1,8-18H2,2-6H3.
What are the key properties of 4,9,13,17-tetramethyloctadec-1-ene?
4,9,13,17-tetramethyloctadec-1-ene has a molecular weight of 308.59 g/mol, XLogP of 8.03, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,13,17-tetramethyloctadec-1-ene is sourced from PubChem (CID 528455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).