3,3,5,7-tetramethyldecane

C14H30 — CID 57491663

IUPAC3,3,5,7-tetramethyldecane
SMILESCCCC(C)CC(C)CC(C)(C)CC
InChIInChI=1S/C14H30/c1-7-9-12(3)10-13(4)11-14(5,6)8-2/h12-13H,7-11H2,1-6H3
InChIKeyOXXBJJVRGQRLGJ-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 3,3,5,7-tetramethyldecane

3,3,5,7-tetramethyldecane (PubChem CID 57491663) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,3,5,7-tetramethyldecane.

Molecular Properties

Compound Name3,3,5,7-tetramethyldecane
PubChem CID57491663
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,3,5,7-tetramethyldecane
SMILESCCCC(C)CC(C)CC(C)(C)CC
InChIInChI=1S/C14H30/c1-7-9-12(3)10-13(4)11-14(5,6)8-2/h12-13H,7-11H2,1-6H3
InChIKeyOXXBJJVRGQRLGJ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,7-tetramethyldecane?
The IUPAC name of 3,3,5,7-tetramethyldecane (CID 57491663) is 3,3,5,7-tetramethyldecane.
What is the SMILES notation for 3,3,5,7-tetramethyldecane?
The canonical SMILES for 3,3,5,7-tetramethyldecane is CCCC(C)CC(C)CC(C)(C)CC.
What is the InChIKey of 3,3,5,7-tetramethyldecane?
The InChIKey is OXXBJJVRGQRLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-9-12(3)10-13(4)11-14(5,6)8-2/h12-13H,7-11H2,1-6H3.
What are the key properties of 3,3,5,7-tetramethyldecane?
3,3,5,7-tetramethyldecane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,7-tetramethyldecane is sourced from PubChem (CID 57491663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).