ethane;2,3,5,9-tetramethyldecane

C16H36 — CID 172617392

IUPACethane;2,3,5,9-tetramethyldecane
SMILESCC.CC(C)CCCC(C)CC(C)C(C)C
InChIInChI=1S/C14H30.C2H6/c1-11(2)8-7-9-13(5)10-14(6)12(3)4;1-2/h11-14H,7-10H2,1-6H3;1-2H3
InChIKeySSRZGLCLESOPIK-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.16
Rot. Bonds7

About ethane;2,3,5,9-tetramethyldecane

ethane;2,3,5,9-tetramethyldecane (PubChem CID 172617392) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is ethane;2,3,5,9-tetramethyldecane.

Molecular Properties

Compound Nameethane;2,3,5,9-tetramethyldecane
PubChem CID172617392
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameethane;2,3,5,9-tetramethyldecane
SMILESCC.CC(C)CCCC(C)CC(C)C(C)C
InChIInChI=1S/C14H30.C2H6/c1-11(2)8-7-9-13(5)10-14(6)12(3)4;1-2/h11-14H,7-10H2,1-6H3;1-2H3
InChIKeySSRZGLCLESOPIK-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2,3,5,9-tetramethyldecane?
The IUPAC name of ethane;2,3,5,9-tetramethyldecane (CID 172617392) is ethane;2,3,5,9-tetramethyldecane.
What is the SMILES notation for ethane;2,3,5,9-tetramethyldecane?
The canonical SMILES for ethane;2,3,5,9-tetramethyldecane is CC.CC(C)CCCC(C)CC(C)C(C)C.
What is the InChIKey of ethane;2,3,5,9-tetramethyldecane?
The InChIKey is SSRZGLCLESOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C2H6/c1-11(2)8-7-9-13(5)10-14(6)12(3)4;1-2/h11-14H,7-10H2,1-6H3;1-2H3.
What are the key properties of ethane;2,3,5,9-tetramethyldecane?
ethane;2,3,5,9-tetramethyldecane has a molecular weight of 228.46 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,5,9-tetramethyldecane is sourced from PubChem (CID 172617392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).