7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane

C21H44 — CID 123601106

IUPAC7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane
SMILESCCC(CC(C)C(C)(C)CC)C(C)(C)CC(C)CC(C)C
InChIInChI=1S/C21H44/c1-11-19(14-18(6)20(7,8)12-2)21(9,10)15-17(5)13-16(3)4/h16-19H,11-15H2,1-10H3
InChIKeyVRMLCLRAICVCKG-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.57
Rot. Bonds10

About 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane

7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane (PubChem CID 123601106) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane.

Molecular Properties

Compound Name7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane
PubChem CID123601106
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane
SMILESCCC(CC(C)C(C)(C)CC)C(C)(C)CC(C)CC(C)C
InChIInChI=1S/C21H44/c1-11-19(14-18(6)20(7,8)12-2)21(9,10)15-17(5)13-16(3)4/h16-19H,11-15H2,1-10H3
InChIKeyVRMLCLRAICVCKG-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane?
The IUPAC name of 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane (CID 123601106) is 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane.
What is the SMILES notation for 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane?
The canonical SMILES for 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane is CCC(CC(C)C(C)(C)CC)C(C)(C)CC(C)CC(C)C.
What is the InChIKey of 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane?
The InChIKey is VRMLCLRAICVCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-11-19(14-18(6)20(7,8)12-2)21(9,10)15-17(5)13-16(3)4/h16-19H,11-15H2,1-10H3.
What are the key properties of 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane?
7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane has a molecular weight of 296.58 g/mol, XLogP of 7.57, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,4,6,6,9,10,10-heptamethyldodecane is sourced from PubChem (CID 123601106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).