(1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol

C20H20O3 — CID 10968849

IUPAC(1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol
SMILESC/C=C/c1cc(OC)c2c(c1O)C[C@H]1O[C@@H]2Cc2ccccc21
InChIInChI=1S/C20H20O3/c1-3-6-13-10-17(22-2)19-15(20(13)21)11-16-14-8-5-4-7-12(14)9-18(19)23-16/h3-8,10,16,18,21H,9,11H2,1-2H3/b6-3+/t16-,18-/m1/s1
InChIKeyLFTFLMFUZPHESK-AWHHDIADSA-N
MW308.38 g/mol
LogP4.35
Rot. Bonds2

About (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol

(1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol (PubChem CID 10968849) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol.

Molecular Properties

Compound Name(1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol
PubChem CID10968849
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol
SMILESC/C=C/c1cc(OC)c2c(c1O)C[C@H]1O[C@@H]2Cc2ccccc21
InChIInChI=1S/C20H20O3/c1-3-6-13-10-17(22-2)19-15(20(13)21)11-16-14-8-5-4-7-12(14)9-18(19)23-16/h3-8,10,16,18,21H,9,11H2,1-2H3/b6-3+/t16-,18-/m1/s1
InChIKeyLFTFLMFUZPHESK-AWHHDIADSA-N
XLogP4.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol with MolForge

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Related Compounds

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1,2,4-trimethoxy-5-prop-1-enylbenzene
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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol?
The IUPAC name of (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol (CID 10968849) is (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol.
What is the SMILES notation for (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol?
The canonical SMILES for (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol is C/C=C/c1cc(OC)c2c(c1O)C[C@H]1O[C@@H]2Cc2ccccc21.
What is the InChIKey of (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol?
The InChIKey is LFTFLMFUZPHESK-AWHHDIADSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-6-13-10-17(22-2)19-15(20(13)21)11-16-14-8-5-4-7-12(14)9-18(19)23-16/h3-8,10,16,18,21H,9,11H2,1-2H3/b6-3+/t16-,18-/m1/s1.
What are the key properties of (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol?
(1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol has a molecular weight of 308.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-3-methoxy-5-[(E)-prop-1-enyl]-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-ol is sourced from PubChem (CID 10968849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).