5-tert-butyl-7-ethyl-3-methylundecane

C18H38 — CID 178132881

IUPAC5-tert-butyl-7-ethyl-3-methylundecane
SMILESCCCCC(CC)CC(CC(C)CC)C(C)(C)C
InChIInChI=1S/C18H38/c1-8-11-12-16(10-3)14-17(18(5,6)7)13-15(4)9-2/h15-17H,8-14H2,1-7H3
InChIKeyPKKJSFBOSSOZHC-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.69
Rot. Bonds9

About 5-tert-butyl-7-ethyl-3-methylundecane

5-tert-butyl-7-ethyl-3-methylundecane (PubChem CID 178132881) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 5-tert-butyl-7-ethyl-3-methylundecane.

Molecular Properties

Compound Name5-tert-butyl-7-ethyl-3-methylundecane
PubChem CID178132881
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name5-tert-butyl-7-ethyl-3-methylundecane
SMILESCCCCC(CC)CC(CC(C)CC)C(C)(C)C
InChIInChI=1S/C18H38/c1-8-11-12-16(10-3)14-17(18(5,6)7)13-15(4)9-2/h15-17H,8-14H2,1-7H3
InChIKeyPKKJSFBOSSOZHC-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-4-ethyloctan-1-amine
CID 83139279
3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane
CID 143303166
7-ethyl-3-methylundecan-5-amine
CID 115806452
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
6-ethyl-4-methyldecane
CID 22224210
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
7-ethyl-N,3-dimethylundecan-5-amine
CID 115806113
3-ethyl-2,2-dimethylheptane
CID 20686447
5-butyl-3-methyldodecane
CID 91590933
5,11-diethyl-7-methylpentadecane
CID 174871265
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
(7-ethyl-3-methylundecan-5-yl)hydrazine
CID 105288351

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-ethyl-3-methylundecane?
The IUPAC name of 5-tert-butyl-7-ethyl-3-methylundecane (CID 178132881) is 5-tert-butyl-7-ethyl-3-methylundecane.
What is the SMILES notation for 5-tert-butyl-7-ethyl-3-methylundecane?
The canonical SMILES for 5-tert-butyl-7-ethyl-3-methylundecane is CCCCC(CC)CC(CC(C)CC)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-7-ethyl-3-methylundecane?
The InChIKey is PKKJSFBOSSOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-8-11-12-16(10-3)14-17(18(5,6)7)13-15(4)9-2/h15-17H,8-14H2,1-7H3.
What are the key properties of 5-tert-butyl-7-ethyl-3-methylundecane?
5-tert-butyl-7-ethyl-3-methylundecane has a molecular weight of 254.50 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-ethyl-3-methylundecane is sourced from PubChem (CID 178132881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).