ethane;2,2,3-trimethylbutane

C11H28 — CID 54312471

IUPACethane;2,2,3-trimethylbutane
SMILESCC.CC.CC(C)C(C)(C)C
InChIInChI=1S/C7H16.2C2H6/c1-6(2)7(3,4)5;2*1-2/h6H,1-5H3;2*1-2H3
InChIKeySLWBBTDUTCLDGD-UHFFFAOYSA-N
MW160.34 g/mol
LogP4.74
Rot. Bonds

About ethane;2,2,3-trimethylbutane

ethane;2,2,3-trimethylbutane (PubChem CID 54312471) has the molecular formula C11H28 and a molecular weight of 160.34 g/mol. Its IUPAC name is ethane;2,2,3-trimethylbutane.

Molecular Properties

Compound Nameethane;2,2,3-trimethylbutane
PubChem CID54312471
Molecular FormulaC11H28
Molecular Weight160.34 g/mol
Exact Mass160.22
IUPAC Nameethane;2,2,3-trimethylbutane
SMILESCC.CC.CC(C)C(C)(C)C
InChIInChI=1S/C7H16.2C2H6/c1-6(2)7(3,4)5;2*1-2/h6H,1-5H3;2*1-2H3
InChIKeySLWBBTDUTCLDGD-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,3-trimethylbutane?
The IUPAC name of ethane;2,2,3-trimethylbutane (CID 54312471) is ethane;2,2,3-trimethylbutane.
What is the SMILES notation for ethane;2,2,3-trimethylbutane?
The canonical SMILES for ethane;2,2,3-trimethylbutane is CC.CC.CC(C)C(C)(C)C.
What is the InChIKey of ethane;2,2,3-trimethylbutane?
The InChIKey is SLWBBTDUTCLDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.2C2H6/c1-6(2)7(3,4)5;2*1-2/h6H,1-5H3;2*1-2H3.
What are the key properties of ethane;2,2,3-trimethylbutane?
ethane;2,2,3-trimethylbutane has a molecular weight of 160.34 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3-trimethylbutane is sourced from PubChem (CID 54312471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).