ethane;1-phenylethanone;2,2,3,3-tetramethylbutane

C20H38O — CID 157312693

IUPACethane;1-phenylethanone;2,2,3,3-tetramethylbutane
SMILESCC.CC.CC(=O)c1ccccc1.CC(C)(C)C(C)(C)C
InChIInChI=1S/C8H8O.C8H18.2C2H6/c1-7(9)8-5-3-2-4-6-8;1-7(2,3)8(4,5)6;2*1-2/h2-6H,1H3;1-6H3;2*1-2H3
InChIKeyBDFLRKMGHMELFC-UHFFFAOYSA-N
MW294.52 g/mol
LogP7.02
Rot. Bonds1

About ethane;1-phenylethanone;2,2,3,3-tetramethylbutane

ethane;1-phenylethanone;2,2,3,3-tetramethylbutane (PubChem CID 157312693) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is ethane;1-phenylethanone;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Nameethane;1-phenylethanone;2,2,3,3-tetramethylbutane
PubChem CID157312693
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Nameethane;1-phenylethanone;2,2,3,3-tetramethylbutane
SMILESCC.CC.CC(=O)c1ccccc1.CC(C)(C)C(C)(C)C
InChIInChI=1S/C8H8O.C8H18.2C2H6/c1-7(9)8-5-3-2-4-6-8;1-7(2,3)8(4,5)6;2*1-2/h2-6H,1H3;1-6H3;2*1-2H3
InChIKeyBDFLRKMGHMELFC-UHFFFAOYSA-N
XLogP7.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-phenylethanone;2,2,3,3-tetramethylbutane?
The IUPAC name of ethane;1-phenylethanone;2,2,3,3-tetramethylbutane (CID 157312693) is ethane;1-phenylethanone;2,2,3,3-tetramethylbutane.
What is the SMILES notation for ethane;1-phenylethanone;2,2,3,3-tetramethylbutane?
The canonical SMILES for ethane;1-phenylethanone;2,2,3,3-tetramethylbutane is CC.CC.CC(=O)c1ccccc1.CC(C)(C)C(C)(C)C.
What is the InChIKey of ethane;1-phenylethanone;2,2,3,3-tetramethylbutane?
The InChIKey is BDFLRKMGHMELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C8H18.2C2H6/c1-7(9)8-5-3-2-4-6-8;1-7(2,3)8(4,5)6;2*1-2/h2-6H,1H3;1-6H3;2*1-2H3.
What are the key properties of ethane;1-phenylethanone;2,2,3,3-tetramethylbutane?
ethane;1-phenylethanone;2,2,3,3-tetramethylbutane has a molecular weight of 294.52 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenylethanone;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 157312693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).