(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane

C11H16O — CID 98557846

IUPAC(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane
SMILESCOC1[C@H]2C[C@@H]2[C@@H]2C[C@@H]2[C@H]2C[C@H]12
InChIInChI=1S/C11H16O/c1-12-11-9-3-7(9)5-2-6(5)8-4-10(8)11/h5-11H,2-4H2,1H3/t5-,6+,7-,8-,9+,10+,11?/m1/s1
InChIKeyRZERIWZAQKEWNM-ZKLQKOBASA-N
MW164.25 g/mol
LogP1.92
Rot. Bonds1

About (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane

(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane (PubChem CID 98557846) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane.

Molecular Properties

Compound Name(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane
PubChem CID98557846
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane
SMILESCOC1[C@H]2C[C@@H]2[C@@H]2C[C@@H]2[C@H]2C[C@H]12
InChIInChI=1S/C11H16O/c1-12-11-9-3-7(9)5-2-6(5)8-4-10(8)11/h5-11H,2-4H2,1H3/t5-,6+,7-,8-,9+,10+,11?/m1/s1
InChIKeyRZERIWZAQKEWNM-ZKLQKOBASA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane?
The IUPAC name of (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane (CID 98557846) is (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane.
What is the SMILES notation for (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane?
The canonical SMILES for (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane is COC1[C@H]2C[C@@H]2[C@@H]2C[C@@H]2[C@H]2C[C@H]12.
What is the InChIKey of (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane?
The InChIKey is RZERIWZAQKEWNM-ZKLQKOBASA-N. The full InChI is InChI=1S/C11H16O/c1-12-11-9-3-7(9)5-2-6(5)8-4-10(8)11/h5-11H,2-4H2,1H3/t5-,6+,7-,8-,9+,10+,11?/m1/s1.
What are the key properties of (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane?
(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane has a molecular weight of 164.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane is sourced from PubChem (CID 98557846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).