[(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate

C18H30O5 — CID 126514354

IUPAC[(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate
SMILESCOC12CC3(C(C)C)CC(OC(=O)CO)C(C)(O3)[C@@H]1CCC2C
InChIInChI=1S/C18H30O5/c1-11(2)17-8-14(22-15(20)9-19)16(4,23-17)13-7-6-12(3)18(13,10-17)21-5/h11-14,19H,6-10H2,1-5H3/t12?,13-,14?,16?,17?,18?/m0/s1
InChIKeyKNZCEPBLVPPDFT-YGIQGYJJSA-N
MW326.43 g/mol
LogP2.30
Rot. Bonds4

About [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate

[(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate (PubChem CID 126514354) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate.

Molecular Properties

Compound Name[(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate
PubChem CID126514354
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name[(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate
SMILESCOC12CC3(C(C)C)CC(OC(=O)CO)C(C)(O3)[C@@H]1CCC2C
InChIInChI=1S/C18H30O5/c1-11(2)17-8-14(22-15(20)9-19)16(4,23-17)13-7-6-12(3)18(13,10-17)21-5/h11-14,19H,6-10H2,1-5H3/t12?,13-,14?,16?,17?,18?/m0/s1
InChIKeyKNZCEPBLVPPDFT-YGIQGYJJSA-N
XLogP2.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate?
The IUPAC name of [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate (CID 126514354) is [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate.
What is the SMILES notation for [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate?
The canonical SMILES for [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate is COC12CC3(C(C)C)CC(OC(=O)CO)C(C)(O3)[C@@H]1CCC2C.
What is the InChIKey of [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate?
The InChIKey is KNZCEPBLVPPDFT-YGIQGYJJSA-N. The full InChI is InChI=1S/C18H30O5/c1-11(2)17-8-14(22-15(20)9-19)16(4,23-17)13-7-6-12(3)18(13,10-17)21-5/h11-14,19H,6-10H2,1-5H3/t12?,13-,14?,16?,17?,18?/m0/s1.
What are the key properties of [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate?
[(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate has a molecular weight of 326.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate is sourced from PubChem (CID 126514354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).