2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol

C8H14O — CID 123326814

IUPAC2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol
SMILESCC1C2C1C2(C)CCO
InChIInChI=1S/C8H14O/c1-5-6-7(5)8(6,2)3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyVKBCMUQJZIRHOC-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.27
Rot. Bonds2

About 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol

2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol (PubChem CID 123326814) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol.

Molecular Properties

Compound Name2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol
PubChem CID123326814
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol
SMILESCC1C2C1C2(C)CCO
InChIInChI=1S/C8H14O/c1-5-6-7(5)8(6,2)3-4-9/h5-7,9H,3-4H2,1-2H3
InChIKeyVKBCMUQJZIRHOC-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol?
The IUPAC name of 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol (CID 123326814) is 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol.
What is the SMILES notation for 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol?
The canonical SMILES for 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol is CC1C2C1C2(C)CCO.
What is the InChIKey of 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol?
The InChIKey is VKBCMUQJZIRHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6-7(5)8(6,2)3-4-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol?
2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol has a molecular weight of 126.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-2-bicyclo[1.1.0]butanyl)ethanol is sourced from PubChem (CID 123326814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).