2-cyclobutyl-1,1-dicyclopropylethanol

C12H20O — CID 121009399

IUPAC2-cyclobutyl-1,1-dicyclopropylethanol
SMILESOC(CC1CCC1)(C1CC1)C1CC1
InChIInChI=1S/C12H20O/c13-12(10-4-5-10,11-6-7-11)8-9-2-1-3-9/h9-11,13H,1-8H2
InChIKeyZQYFGNNZONTTBW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds4

About 2-cyclobutyl-1,1-dicyclopropylethanol

2-cyclobutyl-1,1-dicyclopropylethanol (PubChem CID 121009399) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclobutyl-1,1-dicyclopropylethanol.

Molecular Properties

Compound Name2-cyclobutyl-1,1-dicyclopropylethanol
PubChem CID121009399
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclobutyl-1,1-dicyclopropylethanol
SMILESOC(CC1CCC1)(C1CC1)C1CC1
InChIInChI=1S/C12H20O/c13-12(10-4-5-10,11-6-7-11)8-9-2-1-3-9/h9-11,13H,1-8H2
InChIKeyZQYFGNNZONTTBW-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,1-dicyclopropylethanol?
The IUPAC name of 2-cyclobutyl-1,1-dicyclopropylethanol (CID 121009399) is 2-cyclobutyl-1,1-dicyclopropylethanol.
What is the SMILES notation for 2-cyclobutyl-1,1-dicyclopropylethanol?
The canonical SMILES for 2-cyclobutyl-1,1-dicyclopropylethanol is OC(CC1CCC1)(C1CC1)C1CC1.
What is the InChIKey of 2-cyclobutyl-1,1-dicyclopropylethanol?
The InChIKey is ZQYFGNNZONTTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-12(10-4-5-10,11-6-7-11)8-9-2-1-3-9/h9-11,13H,1-8H2.
What are the key properties of 2-cyclobutyl-1,1-dicyclopropylethanol?
2-cyclobutyl-1,1-dicyclopropylethanol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,1-dicyclopropylethanol is sourced from PubChem (CID 121009399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).