2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane

C27H60O — CID 163898704

IUPAC2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C.CCC(C(C)C)C(C)(C)C.CCC(CO)C(C)(C)C
InChIInChI=1S/C10H22.C9H20.C8H18O/c1-7-9(8(2)3)10(4,5)6;1-8(2,3)7-9(4,5)6;1-5-7(6-9)8(2,3)4/h8-9H,7H2,1-6H3;7H2,1-6H3;7,9H,5-6H2,1-4H3
InChIKeyQHXKIWGWEMELAR-UHFFFAOYSA-N
MW400.78 g/mol
LogP9.23
Rot. Bonds4

About 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane

2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane (PubChem CID 163898704) has the molecular formula C27H60O and a molecular weight of 400.78 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane
PubChem CID163898704
Molecular FormulaC27H60O
Molecular Weight400.78 g/mol
Exact Mass400.46
IUPAC Name2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C.CCC(C(C)C)C(C)(C)C.CCC(CO)C(C)(C)C
InChIInChI=1S/C10H22.C9H20.C8H18O/c1-7-9(8(2)3)10(4,5)6;1-8(2,3)7-9(4,5)6;1-5-7(6-9)8(2,3)4/h8-9H,7H2,1-6H3;7H2,1-6H3;7,9H,5-6H2,1-4H3
InChIKeyQHXKIWGWEMELAR-UHFFFAOYSA-N
XLogP9.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.78
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane?
The IUPAC name of 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane (CID 163898704) is 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane.
What is the SMILES notation for 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane?
The canonical SMILES for 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane is CC(C)(C)CC(C)(C)C.CCC(C(C)C)C(C)(C)C.CCC(CO)C(C)(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane?
The InChIKey is QHXKIWGWEMELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H20.C8H18O/c1-7-9(8(2)3)10(4,5)6;1-8(2,3)7-9(4,5)6;1-5-7(6-9)8(2,3)4/h8-9H,7H2,1-6H3;7H2,1-6H3;7,9H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane?
2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane has a molecular weight of 400.78 g/mol, XLogP of 9.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethylbutan-1-ol;3-ethyl-2,2,4-trimethylpentane;2,2,4,4-tetramethylpentane is sourced from PubChem (CID 163898704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).