2,2-di(cyclobutyl)ethanol

C10H18O — CID 119030922

IUPAC2,2-di(cyclobutyl)ethanol
SMILESOCC(C1CCC1)C1CCC1
InChIInChI=1S/C10H18O/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-11H,1-7H2
InChIKeyUSKSWTGZRMFHAE-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.20
Rot. Bonds3

About 2,2-di(cyclobutyl)ethanol

2,2-di(cyclobutyl)ethanol (PubChem CID 119030922) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2-di(cyclobutyl)ethanol.

Molecular Properties

Compound Name2,2-di(cyclobutyl)ethanol
PubChem CID119030922
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2-di(cyclobutyl)ethanol
SMILESOCC(C1CCC1)C1CCC1
InChIInChI=1S/C10H18O/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-11H,1-7H2
InChIKeyUSKSWTGZRMFHAE-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclobutyl)ethanol?
The IUPAC name of 2,2-di(cyclobutyl)ethanol (CID 119030922) is 2,2-di(cyclobutyl)ethanol.
What is the SMILES notation for 2,2-di(cyclobutyl)ethanol?
The canonical SMILES for 2,2-di(cyclobutyl)ethanol is OCC(C1CCC1)C1CCC1.
What is the InChIKey of 2,2-di(cyclobutyl)ethanol?
The InChIKey is USKSWTGZRMFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-11H,1-7H2.
What are the key properties of 2,2-di(cyclobutyl)ethanol?
2,2-di(cyclobutyl)ethanol has a molecular weight of 154.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclobutyl)ethanol is sourced from PubChem (CID 119030922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).