3,4,9-trimethyl-8-propylundecane

C17H36 — CID 90901381

IUPAC3,4,9-trimethyl-8-propylundecane
SMILESCCCC(CCCC(C)C(C)CC)C(C)CC
InChIInChI=1S/C17H36/c1-7-11-17(15(5)9-3)13-10-12-16(6)14(4)8-2/h14-17H,7-13H2,1-6H3
InChIKeyQLMFRBILPLNEJF-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds10

About 3,4,9-trimethyl-8-propylundecane

3,4,9-trimethyl-8-propylundecane (PubChem CID 90901381) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,4,9-trimethyl-8-propylundecane.

Molecular Properties

Compound Name3,4,9-trimethyl-8-propylundecane
PubChem CID90901381
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,4,9-trimethyl-8-propylundecane
SMILESCCCC(CCCC(C)C(C)CC)C(C)CC
InChIInChI=1S/C17H36/c1-7-11-17(15(5)9-3)13-10-12-16(6)14(4)8-2/h14-17H,7-13H2,1-6H3
InChIKeyQLMFRBILPLNEJF-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
(3R)-3,4-dimethylheptane
CID 59819300
8-butan-2-yl-4-methyltetradecane
CID 123224994
7-butan-2-yl-4-propylundecane
CID 123685614
4,5-diethylnonane
CID 21188862
3,4-dimethyldecane;ethane
CID 170980289
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
2,3,6,7,8,13,14-heptamethyl-9-propylheptadecane
CID 123281462
4-butan-2-yloctan-1-ol
CID 57029732
4,5-diethyloctane
CID 519254
4-ethyl-3-methylundecane
CID 57279647

Frequently Asked Questions

What is the IUPAC name of 3,4,9-trimethyl-8-propylundecane?
The IUPAC name of 3,4,9-trimethyl-8-propylundecane (CID 90901381) is 3,4,9-trimethyl-8-propylundecane.
What is the SMILES notation for 3,4,9-trimethyl-8-propylundecane?
The canonical SMILES for 3,4,9-trimethyl-8-propylundecane is CCCC(CCCC(C)C(C)CC)C(C)CC.
What is the InChIKey of 3,4,9-trimethyl-8-propylundecane?
The InChIKey is QLMFRBILPLNEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-11-17(15(5)9-3)13-10-12-16(6)14(4)8-2/h14-17H,7-13H2,1-6H3.
What are the key properties of 3,4,9-trimethyl-8-propylundecane?
3,4,9-trimethyl-8-propylundecane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-trimethyl-8-propylundecane is sourced from PubChem (CID 90901381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).