5-methoxytetracyclo[4.3.0.02,4.03,7]nonane

C10H14O — CID 45090860

IUPAC5-methoxytetracyclo[4.3.0.02,4.03,7]nonane
SMILESCOC1C2C3CCC2C2C3C12
InChIInChI=1S/C10H14O/c1-11-10-6-4-2-3-5(6)8-7(4)9(8)10/h4-10H,2-3H2,1H3
InChIKeyISNZXBZHSUAXFZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.53
Rot. Bonds1

About 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane

5-methoxytetracyclo[4.3.0.02,4.03,7]nonane (PubChem CID 45090860) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane.

Molecular Properties

Compound Name5-methoxytetracyclo[4.3.0.02,4.03,7]nonane
PubChem CID45090860
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-methoxytetracyclo[4.3.0.02,4.03,7]nonane
SMILESCOC1C2C3CCC2C2C3C12
InChIInChI=1S/C10H14O/c1-11-10-6-4-2-3-5(6)8-7(4)9(8)10/h4-10H,2-3H2,1H3
InChIKeyISNZXBZHSUAXFZ-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane?
The IUPAC name of 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane (CID 45090860) is 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane.
What is the SMILES notation for 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane?
The canonical SMILES for 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane is COC1C2C3CCC2C2C3C12.
What is the InChIKey of 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane?
The InChIKey is ISNZXBZHSUAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-11-10-6-4-2-3-5(6)8-7(4)9(8)10/h4-10H,2-3H2,1H3.
What are the key properties of 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane?
5-methoxytetracyclo[4.3.0.02,4.03,7]nonane has a molecular weight of 150.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxytetracyclo[4.3.0.02,4.03,7]nonane is sourced from PubChem (CID 45090860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).