1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol

C9H16O — CID 89099272

IUPAC1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1CC2CC21
InChIInChI=1S/C9H16O/c1-5(2)9(10)8-4-6-3-7(6)8/h5-10H,3-4H2,1-2H3
InChIKeyNRUIYMFKMGWANU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol

1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol (PubChem CID 89099272) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol
PubChem CID89099272
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1CC2CC21
InChIInChI=1S/C9H16O/c1-5(2)9(10)8-4-6-3-7(6)8/h5-10H,3-4H2,1-2H3
InChIKeyNRUIYMFKMGWANU-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol (CID 89099272) is 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol is CC(C)C(O)C1CC2CC21.
What is the InChIKey of 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol?
The InChIKey is NRUIYMFKMGWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5(2)9(10)8-4-6-3-7(6)8/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol?
1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol is sourced from PubChem (CID 89099272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).