bicyclo[4.2.1]nonane-1,2-diol;methane

C11H24O2 — CID 87199074

IUPACbicyclo[4.2.1]nonane-1,2-diol;methane
SMILESC.C.OC1CCCC2CCC1(O)C2
InChIInChI=1S/C9H16O2.2CH4/c10-8-3-1-2-7-4-5-9(8,11)6-7;;/h7-8,10-11H,1-6H2;2*1H4
InChIKeyXRIQMKIWXBLDDZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.33
Rot. Bonds

About bicyclo[4.2.1]nonane-1,2-diol;methane

bicyclo[4.2.1]nonane-1,2-diol;methane (PubChem CID 87199074) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is bicyclo[4.2.1]nonane-1,2-diol;methane.

Molecular Properties

Compound Namebicyclo[4.2.1]nonane-1,2-diol;methane
PubChem CID87199074
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namebicyclo[4.2.1]nonane-1,2-diol;methane
SMILESC.C.OC1CCCC2CCC1(O)C2
InChIInChI=1S/C9H16O2.2CH4/c10-8-3-1-2-7-4-5-9(8,11)6-7;;/h7-8,10-11H,1-6H2;2*1H4
InChIKeyXRIQMKIWXBLDDZ-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.1]nonane-1,2-diol;methane?
The IUPAC name of bicyclo[4.2.1]nonane-1,2-diol;methane (CID 87199074) is bicyclo[4.2.1]nonane-1,2-diol;methane.
What is the SMILES notation for bicyclo[4.2.1]nonane-1,2-diol;methane?
The canonical SMILES for bicyclo[4.2.1]nonane-1,2-diol;methane is C.C.OC1CCCC2CCC1(O)C2.
What is the InChIKey of bicyclo[4.2.1]nonane-1,2-diol;methane?
The InChIKey is XRIQMKIWXBLDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.2CH4/c10-8-3-1-2-7-4-5-9(8,11)6-7;;/h7-8,10-11H,1-6H2;2*1H4.
What are the key properties of bicyclo[4.2.1]nonane-1,2-diol;methane?
bicyclo[4.2.1]nonane-1,2-diol;methane has a molecular weight of 188.31 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.1]nonane-1,2-diol;methane is sourced from PubChem (CID 87199074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).