5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane

C25H52 — CID 139911730

IUPAC5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane
SMILESCCCC(CCCCCCC(C)CCC(CC)CCC(C)C)C(C)C
InChIInChI=1S/C25H52/c1-8-14-25(22(5)6)16-13-11-10-12-15-23(7)18-20-24(9-2)19-17-21(3)4/h21-25H,8-20H2,1-7H3
InChIKeyUIDWLZWYDLTXJK-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.28
Rot. Bonds17

About 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane

5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane (PubChem CID 139911730) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane.

Molecular Properties

Compound Name5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane
PubChem CID139911730
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane
SMILESCCCC(CCCCCCC(C)CCC(CC)CCC(C)C)C(C)C
InChIInChI=1S/C25H52/c1-8-14-25(22(5)6)16-13-11-10-12-15-23(7)18-20-24(9-2)19-17-21(3)4/h21-25H,8-20H2,1-7H3
InChIKeyUIDWLZWYDLTXJK-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

13-ethyl-16-methyltriacontane
CID 123421227
18-ethyl-15-methyltetratriacontane
CID 123619510
5-ethyl-8-methyltetradecane
CID 158454229
4-propan-2-yldecane
CID 15038736
10-ethyl-2-methyltridecane
CID 173195663
11-ethyl-2,5,7-trimethyltetradecane
CID 123549571
2,8-dimethyl-5-(2-methylbutyl)tridecane
CID 57219867
11-ethyl-3-methyltetradecane
CID 123200411
19-ethyl-15-methyltetratriacontane
CID 123150994
ethane;4-ethyl-2,9,12-trimethyltridecane
CID 143342118
8-propan-2-yl-11-propyloctadecane
CID 123538924
3-ethyl-2,6,9-trimethyldecane
CID 91256736

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane?
The IUPAC name of 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane (CID 139911730) is 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane.
What is the SMILES notation for 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane?
The canonical SMILES for 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane is CCCC(CCCCCCC(C)CCC(CC)CCC(C)C)C(C)C.
What is the InChIKey of 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane?
The InChIKey is UIDWLZWYDLTXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-8-14-25(22(5)6)16-13-11-10-12-15-23(7)18-20-24(9-2)19-17-21(3)4/h21-25H,8-20H2,1-7H3.
What are the key properties of 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane?
5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane has a molecular weight of 352.69 g/mol, XLogP of 9.28, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane is sourced from PubChem (CID 139911730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).