(1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene

C22H32O2 — CID 5270701

IUPAC(1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene
SMILESCOc1ccc2c(c1)C[C@]1(C)[C@@H](C)CCC3C(C)(C)CCC[C@]31O2
InChIInChI=1S/C22H32O2/c1-15-7-10-19-20(2,3)11-6-12-22(19)21(15,4)14-16-13-17(23-5)8-9-18(16)24-22/h8-9,13,15,19H,6-7,10-12,14H2,1-5H3/t15-,19?,21+,22-/m0/s1
InChIKeyGFZLFKCEWJJEFW-QANXQLDVSA-N
MW328.50 g/mol
LogP5.63
Rot. Bonds1

About (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene

(1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene (PubChem CID 5270701) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene.

Molecular Properties

Compound Name(1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene
PubChem CID5270701
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name(1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene
SMILESCOc1ccc2c(c1)C[C@]1(C)[C@@H](C)CCC3C(C)(C)CCC[C@]31O2
InChIInChI=1S/C22H32O2/c1-15-7-10-19-20(2,3)11-6-12-22(19)21(15,4)14-16-13-17(23-5)8-9-18(16)24-22/h8-9,13,15,19H,6-7,10-12,14H2,1-5H3/t15-,19?,21+,22-/m0/s1
InChIKeyGFZLFKCEWJJEFW-QANXQLDVSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene?
The IUPAC name of (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene (CID 5270701) is (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene.
What is the SMILES notation for (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene?
The canonical SMILES for (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene is COc1ccc2c(c1)C[C@]1(C)[C@@H](C)CCC3C(C)(C)CCC[C@]31O2.
What is the InChIKey of (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene?
The InChIKey is GFZLFKCEWJJEFW-QANXQLDVSA-N. The full InChI is InChI=1S/C22H32O2/c1-15-7-10-19-20(2,3)11-6-12-22(19)21(15,4)14-16-13-17(23-5)8-9-18(16)24-22/h8-9,13,15,19H,6-7,10-12,14H2,1-5H3/t15-,19?,21+,22-/m0/s1.
What are the key properties of (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene?
(1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene has a molecular weight of 328.50 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,11S)-6-methoxy-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),4,6-triene is sourced from PubChem (CID 5270701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).