[(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate

C16H20O3 — CID 132838806

IUPAC[(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate
SMILESCOC[C@@]12C[C@@]3(OC(C)=O)C=C[C@H]4C=CC1C2C[C@H]43
InChIInChI=1S/C16H20O3/c1-10(17)19-16-6-5-11-3-4-12-14(7-13(11)16)15(12,8-16)9-18-2/h3-6,11-14H,7-9H2,1-2H3/t11-,12?,13-,14?,15+,16+/m1/s1
InChIKeyBWRXQYZAPBCCJX-OJTHXENHSA-N
MW260.33 g/mol
LogP2.33
Rot. Bonds3

About [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate

[(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate (PubChem CID 132838806) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate.

Molecular Properties

Compound Name[(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate
PubChem CID132838806
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name[(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate
SMILESCOC[C@@]12C[C@@]3(OC(C)=O)C=C[C@H]4C=CC1C2C[C@H]43
InChIInChI=1S/C16H20O3/c1-10(17)19-16-6-5-11-3-4-12-14(7-13(11)16)15(12,8-16)9-18-2/h3-6,11-14H,7-9H2,1-2H3/t11-,12?,13-,14?,15+,16+/m1/s1
InChIKeyBWRXQYZAPBCCJX-OJTHXENHSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate?
The IUPAC name of [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate (CID 132838806) is [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate.
What is the SMILES notation for [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate?
The canonical SMILES for [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate is COC[C@@]12C[C@@]3(OC(C)=O)C=C[C@H]4C=CC1C2C[C@H]43.
What is the InChIKey of [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate?
The InChIKey is BWRXQYZAPBCCJX-OJTHXENHSA-N. The full InChI is InChI=1S/C16H20O3/c1-10(17)19-16-6-5-11-3-4-12-14(7-13(11)16)15(12,8-16)9-18-2/h3-6,11-14H,7-9H2,1-2H3/t11-,12?,13-,14?,15+,16+/m1/s1.
What are the key properties of [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate?
[(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate has a molecular weight of 260.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,8R,9R)-1-(methoxymethyl)-8-tetracyclo[6.3.1.02,11.05,9]dodeca-3,6-dienyl] acetate is sourced from PubChem (CID 132838806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).