ethane;2,3,6,6,9-pentamethyldecane

C17H38 — CID 156735822

IUPACethane;2,3,6,6,9-pentamethyldecane
SMILESCC.CC(C)CCC(C)(C)CCC(C)C(C)C
InChIInChI=1S/C15H32.C2H6/c1-12(2)8-10-15(6,7)11-9-14(5)13(3)4;1-2/h12-14H,8-11H2,1-7H3;1-2H3
InChIKeyNGJWJUFSVUWFTO-UHFFFAOYSA-N
MW242.49 g/mol
LogP6.55
Rot. Bonds7

About ethane;2,3,6,6,9-pentamethyldecane

ethane;2,3,6,6,9-pentamethyldecane (PubChem CID 156735822) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is ethane;2,3,6,6,9-pentamethyldecane.

Molecular Properties

Compound Nameethane;2,3,6,6,9-pentamethyldecane
PubChem CID156735822
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Nameethane;2,3,6,6,9-pentamethyldecane
SMILESCC.CC(C)CCC(C)(C)CCC(C)C(C)C
InChIInChI=1S/C15H32.C2H6/c1-12(2)8-10-15(6,7)11-9-14(5)13(3)4;1-2/h12-14H,8-11H2,1-7H3;1-2H3
InChIKeyNGJWJUFSVUWFTO-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2,3,6,6,9-pentamethyldecane?
The IUPAC name of ethane;2,3,6,6,9-pentamethyldecane (CID 156735822) is ethane;2,3,6,6,9-pentamethyldecane.
What is the SMILES notation for ethane;2,3,6,6,9-pentamethyldecane?
The canonical SMILES for ethane;2,3,6,6,9-pentamethyldecane is CC.CC(C)CCC(C)(C)CCC(C)C(C)C.
What is the InChIKey of ethane;2,3,6,6,9-pentamethyldecane?
The InChIKey is NGJWJUFSVUWFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C2H6/c1-12(2)8-10-15(6,7)11-9-14(5)13(3)4;1-2/h12-14H,8-11H2,1-7H3;1-2H3.
What are the key properties of ethane;2,3,6,6,9-pentamethyldecane?
ethane;2,3,6,6,9-pentamethyldecane has a molecular weight of 242.49 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,6,6,9-pentamethyldecane is sourced from PubChem (CID 156735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).