bicyclo[2.1.1]hexan-1-ol

C6H10O — CID 14867020

IUPACbicyclo[2.1.1]hexan-1-ol
SMILESOC12CCC(C1)C2
InChIInChI=1S/C6H10O/c7-6-2-1-5(3-6)4-6/h5,7H,1-4H2
InChIKeyVSFNIRMYWJSEFH-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.92
Rot. Bonds

About bicyclo[2.1.1]hexan-1-ol

bicyclo[2.1.1]hexan-1-ol (PubChem CID 14867020) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is bicyclo[2.1.1]hexan-1-ol.

Molecular Properties

Compound Namebicyclo[2.1.1]hexan-1-ol
PubChem CID14867020
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Namebicyclo[2.1.1]hexan-1-ol
SMILESOC12CCC(C1)C2
InChIInChI=1S/C6H10O/c7-6-2-1-5(3-6)4-6/h5,7H,1-4H2
InChIKeyVSFNIRMYWJSEFH-UHFFFAOYSA-N
XLogP0.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.1.1]hexan-1-ol?
The IUPAC name of bicyclo[2.1.1]hexan-1-ol (CID 14867020) is bicyclo[2.1.1]hexan-1-ol.
What is the SMILES notation for bicyclo[2.1.1]hexan-1-ol?
The canonical SMILES for bicyclo[2.1.1]hexan-1-ol is OC12CCC(C1)C2.
What is the InChIKey of bicyclo[2.1.1]hexan-1-ol?
The InChIKey is VSFNIRMYWJSEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c7-6-2-1-5(3-6)4-6/h5,7H,1-4H2.
What are the key properties of bicyclo[2.1.1]hexan-1-ol?
bicyclo[2.1.1]hexan-1-ol has a molecular weight of 98.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.1.1]hexan-1-ol is sourced from PubChem (CID 14867020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).