3-ethyl-9,12,12-trimethylpentadecane

C20H42 — CID 123730767

IUPAC3-ethyl-9,12,12-trimethylpentadecane
SMILESCCCC(C)(C)CCC(C)CCCCCC(CC)CC
InChIInChI=1S/C20H42/c1-7-16-20(5,6)17-15-18(4)13-11-10-12-14-19(8-2)9-3/h18-19H,7-17H2,1-6H3
InChIKeyWIEVUOBOXHNHHD-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.62
Rot. Bonds13

About 3-ethyl-9,12,12-trimethylpentadecane

3-ethyl-9,12,12-trimethylpentadecane (PubChem CID 123730767) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 3-ethyl-9,12,12-trimethylpentadecane.

Molecular Properties

Compound Name3-ethyl-9,12,12-trimethylpentadecane
PubChem CID123730767
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name3-ethyl-9,12,12-trimethylpentadecane
SMILESCCCC(C)(C)CCC(C)CCCCCC(CC)CC
InChIInChI=1S/C20H42/c1-7-16-20(5,6)17-15-18(4)13-11-10-12-14-19(8-2)9-3/h18-19H,7-17H2,1-6H3
InChIKeyWIEVUOBOXHNHHD-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.62
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

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3-ethyl-10-methyldodecane
CID 54169175
8-ethyl-4,4-dimethylundecane
CID 123621747
19-ethyl-15-methyltetratriacontane
CID 123150994
4,4-dimethylheptane;methane;4-methylheptane
CID 159758574
3-ethyl-8-methyldecane
CID 57490930
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
13-ethyl-16-methyltriacontane
CID 123421227
18-ethyl-15-methyltetratriacontane
CID 123619510
2,2,5-trimethyldodecane
CID 54169953

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9,12,12-trimethylpentadecane?
The IUPAC name of 3-ethyl-9,12,12-trimethylpentadecane (CID 123730767) is 3-ethyl-9,12,12-trimethylpentadecane.
What is the SMILES notation for 3-ethyl-9,12,12-trimethylpentadecane?
The canonical SMILES for 3-ethyl-9,12,12-trimethylpentadecane is CCCC(C)(C)CCC(C)CCCCCC(CC)CC.
What is the InChIKey of 3-ethyl-9,12,12-trimethylpentadecane?
The InChIKey is WIEVUOBOXHNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-7-16-20(5,6)17-15-18(4)13-11-10-12-14-19(8-2)9-3/h18-19H,7-17H2,1-6H3.
What are the key properties of 3-ethyl-9,12,12-trimethylpentadecane?
3-ethyl-9,12,12-trimethylpentadecane has a molecular weight of 282.56 g/mol, XLogP of 7.62, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9,12,12-trimethylpentadecane is sourced from PubChem (CID 123730767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).