3,7-dimethyl-6-(2-methylpropyl)undecane

C17H36 — CID 123589473

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

About 3,7-dimethyl-6-(2-methylpropyl)undecane

3,7-dimethyl-6-(2-methylpropyl)undecane (PubChem CID 123589473) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,7-dimethyl-6-(2-methylpropyl)undecane.

Molecular Properties

Compound Name3,7-dimethyl-6-(2-methylpropyl)undecane
PubChem CID123589473
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,7-dimethyl-6-(2-methylpropyl)undecane
SMILESCCCCC(C)C(CCC(C)CC)CC(C)C
InChIInChI=1S/C17H36/c1-7-9-10-16(6)17(13-14(3)4)12-11-15(5)8-2/h14-17H,7-13H2,1-6H3
InChIKeyPCLHVPMBALPIEF-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

6-butyl-3,7-dimethylundecane
CID 123359248
(3R,6S)-3,6-dimethyldecane
CID 170848353
3,5,6-trimethyldecane
CID 57490917
5-butyl-2,6-dimethyldecane
CID 123775332
2,5,11-trimethyl-4-propyldodecane
CID 123176237
6-ethyl-4,7-dimethylundecane
CID 123910768
2,5-dimethyl-4-propyloctane
CID 57491236
3-methylheptane;nickel
CID 158967838
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
3-ethyl-4,8-dimethyldecane
CID 57491716
3-methylheptane;2-methylpentane
CID 165405793
2-methylhexane;3-methylhexane
CID 123646192

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-(2-methylpropyl)undecane?
The IUPAC name of 3,7-dimethyl-6-(2-methylpropyl)undecane (CID 123589473) is 3,7-dimethyl-6-(2-methylpropyl)undecane.
What is the SMILES notation for 3,7-dimethyl-6-(2-methylpropyl)undecane?
The canonical SMILES for 3,7-dimethyl-6-(2-methylpropyl)undecane is CCCCC(C)C(CCC(C)CC)CC(C)C.
What is the InChIKey of 3,7-dimethyl-6-(2-methylpropyl)undecane?
The InChIKey is PCLHVPMBALPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-9-10-16(6)17(13-14(3)4)12-11-15(5)8-2/h14-17H,7-13H2,1-6H3.
What are the key properties of 3,7-dimethyl-6-(2-methylpropyl)undecane?
3,7-dimethyl-6-(2-methylpropyl)undecane 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 3,7-dimethyl-6-(2-methylpropyl)undecane is sourced from PubChem (CID 123589473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).