10-ethyl-5,16,18-trimethylicos-2-ene

C25H50 — CID 123901868

IUPAC10-ethyl-5,16,18-trimethylicos-2-ene
SMILESCC=CCC(C)CCCCC(CC)CCCCCC(C)CC(C)CC
InChIInChI=1S/C25H50/c1-7-10-16-23(5)17-14-15-20-25(9-3)19-13-11-12-18-24(6)21-22(4)8-2/h7,10,22-25H,8-9,11-21H2,1-6H3
InChIKeyFXSYOJDYTUTOHA-UHFFFAOYSA-N
MW350.68 g/mol
LogP9.20
Rot. Bonds17

About 10-ethyl-5,16,18-trimethylicos-2-ene

10-ethyl-5,16,18-trimethylicos-2-ene (PubChem CID 123901868) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is 10-ethyl-5,16,18-trimethylicos-2-ene.

Molecular Properties

Compound Name10-ethyl-5,16,18-trimethylicos-2-ene
PubChem CID123901868
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name10-ethyl-5,16,18-trimethylicos-2-ene
SMILESCC=CCC(C)CCCCC(CC)CCCCCC(C)CC(C)CC
InChIInChI=1S/C25H50/c1-7-10-16-23(5)17-14-15-20-25(9-3)19-13-11-12-18-24(6)21-22(4)8-2/h7,10,22-25H,8-9,11-21H2,1-6H3
InChIKeyFXSYOJDYTUTOHA-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.20
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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Related Compounds

(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene
CID 174139015
(E)-13-ethyl-7-methylnonadec-9-ene
CID 173194422
(E)-5-methylhept-2-ene
CID 5364849
5-ethyl-9,16,19,19-tetramethylicos-2-ene
CID 91267212
3,5-dimethylpentacosane
CID 86177199
3-ethyl-10-methyldodecane
CID 54169175
9-ethyl-3-methyltridecane
CID 54105230
11-ethyl-3-methyltetradecane
CID 123200411
3-ethyl-8-methyldecane
CID 57490930
11-ethyl-9-methylhenicosane
CID 154589575
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
carbanide;3,5-dimethyldodecane;yttrium
CID 58340734

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-5,16,18-trimethylicos-2-ene?
The IUPAC name of 10-ethyl-5,16,18-trimethylicos-2-ene (CID 123901868) is 10-ethyl-5,16,18-trimethylicos-2-ene.
What is the SMILES notation for 10-ethyl-5,16,18-trimethylicos-2-ene?
The canonical SMILES for 10-ethyl-5,16,18-trimethylicos-2-ene is CC=CCC(C)CCCCC(CC)CCCCCC(C)CC(C)CC.
What is the InChIKey of 10-ethyl-5,16,18-trimethylicos-2-ene?
The InChIKey is FXSYOJDYTUTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-7-10-16-23(5)17-14-15-20-25(9-3)19-13-11-12-18-24(6)21-22(4)8-2/h7,10,22-25H,8-9,11-21H2,1-6H3.
What are the key properties of 10-ethyl-5,16,18-trimethylicos-2-ene?
10-ethyl-5,16,18-trimethylicos-2-ene has a molecular weight of 350.68 g/mol, XLogP of 9.20, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-5,16,18-trimethylicos-2-ene is sourced from PubChem (CID 123901868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).