ethane;2,2,4,4,5,8-hexamethylnonane

C17H38 — CID 145376568

IUPACethane;2,2,4,4,5,8-hexamethylnonane
SMILESCC.CC(C)CCC(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H32.C2H6/c1-12(2)9-10-13(3)15(7,8)11-14(4,5)6;1-2/h12-13H,9-11H2,1-8H3;1-2H3
InChIKeyMIALJVDZXATDSZ-UHFFFAOYSA-N
MW242.49 g/mol
LogP6.55
Rot. Bonds5

About ethane;2,2,4,4,5,8-hexamethylnonane

ethane;2,2,4,4,5,8-hexamethylnonane (PubChem CID 145376568) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is ethane;2,2,4,4,5,8-hexamethylnonane.

Molecular Properties

Compound Nameethane;2,2,4,4,5,8-hexamethylnonane
PubChem CID145376568
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Nameethane;2,2,4,4,5,8-hexamethylnonane
SMILESCC.CC(C)CCC(C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H32.C2H6/c1-12(2)9-10-13(3)15(7,8)11-14(4,5)6;1-2/h12-13H,9-11H2,1-8H3;1-2H3
InChIKeyMIALJVDZXATDSZ-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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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Related Compounds

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2,2,3,6,6-pentamethylheptan-1-ol
CID 91591586
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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4,4,5,8-hexamethylnonane?
The IUPAC name of ethane;2,2,4,4,5,8-hexamethylnonane (CID 145376568) is ethane;2,2,4,4,5,8-hexamethylnonane.
What is the SMILES notation for ethane;2,2,4,4,5,8-hexamethylnonane?
The canonical SMILES for ethane;2,2,4,4,5,8-hexamethylnonane is CC.CC(C)CCC(C)C(C)(C)CC(C)(C)C.
What is the InChIKey of ethane;2,2,4,4,5,8-hexamethylnonane?
The InChIKey is MIALJVDZXATDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C2H6/c1-12(2)9-10-13(3)15(7,8)11-14(4,5)6;1-2/h12-13H,9-11H2,1-8H3;1-2H3.
What are the key properties of ethane;2,2,4,4,5,8-hexamethylnonane?
ethane;2,2,4,4,5,8-hexamethylnonane has a molecular weight of 242.49 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4,4,5,8-hexamethylnonane is sourced from PubChem (CID 145376568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).