3,5,5,6,10-pentamethyldodecane

C17H36 — CID 91028841

IUPAC3,5,5,6,10-pentamethyldodecane
SMILESCCC(C)CCCC(C)C(C)(C)CC(C)CC
InChIInChI=1S/C17H36/c1-8-14(3)11-10-12-16(5)17(6,7)13-15(4)9-2/h14-16H,8-13H2,1-7H3
InChIKeyILOBOUJPSSARIQ-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds9

About 3,5,5,6,10-pentamethyldodecane

3,5,5,6,10-pentamethyldodecane (PubChem CID 91028841) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,5,5,6,10-pentamethyldodecane.

Molecular Properties

Compound Name3,5,5,6,10-pentamethyldodecane
PubChem CID91028841
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,5,5,6,10-pentamethyldodecane
SMILESCCC(C)CCCC(C)C(C)(C)CC(C)CC
InChIInChI=1S/C17H36/c1-8-14(3)11-10-12-16(5)17(6,7)13-15(4)9-2/h14-16H,8-13H2,1-7H3
InChIKeyILOBOUJPSSARIQ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 3,5,5,6,10-pentamethyldodecane?
The IUPAC name of 3,5,5,6,10-pentamethyldodecane (CID 91028841) is 3,5,5,6,10-pentamethyldodecane.
What is the SMILES notation for 3,5,5,6,10-pentamethyldodecane?
The canonical SMILES for 3,5,5,6,10-pentamethyldodecane is CCC(C)CCCC(C)C(C)(C)CC(C)CC.
What is the InChIKey of 3,5,5,6,10-pentamethyldodecane?
The InChIKey is ILOBOUJPSSARIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-8-14(3)11-10-12-16(5)17(6,7)13-15(4)9-2/h14-16H,8-13H2,1-7H3.
What are the key properties of 3,5,5,6,10-pentamethyldodecane?
3,5,5,6,10-pentamethyldodecane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,6,10-pentamethyldodecane is sourced from PubChem (CID 91028841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).