2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol

C18H36O2 — CID 71225455

IUPAC2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol
SMILESCCC1(CCC(C)C)C(O)C(CC)(CCC(C)C)C1O
InChIInChI=1S/C18H36O2/c1-7-17(11-9-13(3)4)15(19)18(8-2,16(17)20)12-10-14(5)6/h13-16,19-20H,7-12H2,1-6H3
InChIKeyDBAOJARWLIHQOP-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.39
Rot. Bonds8

About 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol

2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol (PubChem CID 71225455) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol
PubChem CID71225455
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol
SMILESCCC1(CCC(C)C)C(O)C(CC)(CCC(C)C)C1O
InChIInChI=1S/C18H36O2/c1-7-17(11-9-13(3)4)15(19)18(8-2,16(17)20)12-10-14(5)6/h13-16,19-20H,7-12H2,1-6H3
InChIKeyDBAOJARWLIHQOP-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)cyclobutan-1-ol
CID 59815736
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
ethane;2-methylpentane
CID 143713716
ethane;3-methylbutan-1-ol;propane
CID 163391548
1-(3-methylbutyl)-2-propylcyclopropan-1-ol
CID 79332942
2-methyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154140
2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol
CID 103286235
3-methylbutylphosphane;dihydrochloride
CID 172804723
ethane;methane;bis(2-methylpentane)
CID 142143156
1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
1-(3-methylbutyl)-1-propan-2-ylcyclopentane
CID 140662970
3-ethyl-1-(3-methylbutyl)cyclopentan-1-ol
CID 65154263

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol?
The IUPAC name of 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol (CID 71225455) is 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol.
What is the SMILES notation for 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol?
The canonical SMILES for 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol is CCC1(CCC(C)C)C(O)C(CC)(CCC(C)C)C1O.
What is the InChIKey of 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol?
The InChIKey is DBAOJARWLIHQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-7-17(11-9-13(3)4)15(19)18(8-2,16(17)20)12-10-14(5)6/h13-16,19-20H,7-12H2,1-6H3.
What are the key properties of 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol?
2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol has a molecular weight of 284.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol is sourced from PubChem (CID 71225455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).