2,2-dimethylpropane;ethane;3-methylphenol;propane

C17H34O — CID 143588830

IUPAC2,2-dimethylpropane;ethane;3-methylphenol;propane
SMILESCC.CC(C)(C)C.CCC.Cc1cccc(O)c1
InChIInChI=1S/C7H8O.C5H12.C3H8.C2H6/c1-6-3-2-4-7(8)5-6;1-5(2,3)4;1-3-2;1-2/h2-5,8H,1H3;1-4H3;3H2,1-2H3;1-2H3
InChIKeySBZRXKVYJGLHNN-UHFFFAOYSA-N
MW254.46 g/mol
LogP6.20
Rot. Bonds

About 2,2-dimethylpropane;ethane;3-methylphenol;propane

2,2-dimethylpropane;ethane;3-methylphenol;propane (PubChem CID 143588830) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;3-methylphenol;propane.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;3-methylphenol;propane
PubChem CID143588830
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2,2-dimethylpropane;ethane;3-methylphenol;propane
SMILESCC.CC(C)(C)C.CCC.Cc1cccc(O)c1
InChIInChI=1S/C7H8O.C5H12.C3H8.C2H6/c1-6-3-2-4-7(8)5-6;1-5(2,3)4;1-3-2;1-2/h2-5,8H,1H3;1-4H3;3H2,1-2H3;1-2H3
InChIKeySBZRXKVYJGLHNN-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;propane;1,3-xylene
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CID 141330574
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3-methylphenol;sulfuric acid
CID 70180616
carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium
CID 134902527
3-methylphenol thiocyanate
CID 20976814
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;3-methylphenol;propane?
The IUPAC name of 2,2-dimethylpropane;ethane;3-methylphenol;propane (CID 143588830) is 2,2-dimethylpropane;ethane;3-methylphenol;propane.
What is the SMILES notation for 2,2-dimethylpropane;ethane;3-methylphenol;propane?
The canonical SMILES for 2,2-dimethylpropane;ethane;3-methylphenol;propane is CC.CC(C)(C)C.CCC.Cc1cccc(O)c1.
What is the InChIKey of 2,2-dimethylpropane;ethane;3-methylphenol;propane?
The InChIKey is SBZRXKVYJGLHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C5H12.C3H8.C2H6/c1-6-3-2-4-7(8)5-6;1-5(2,3)4;1-3-2;1-2/h2-5,8H,1H3;1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;3-methylphenol;propane?
2,2-dimethylpropane;ethane;3-methylphenol;propane has a molecular weight of 254.46 g/mol, XLogP of 6.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;3-methylphenol;propane is sourced from PubChem (CID 143588830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).