7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one

C22H32O4 — CID 123967698

IUPAC7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one
SMILESCOC1=C2C(C)CCC3(C)CC4(C5COC5CC(OC)C4(C)C1=O)C23C
InChIInChI=1S/C22H32O4/c1-12-7-8-19(2)11-22-13-10-26-14(13)9-15(24-5)20(22,3)18(23)17(25-6)16(12)21(19,22)4/h12-15H,7-11H2,1-6H3
InChIKeyAGOILQBECVYVOV-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.74
Rot. Bonds2

About 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one

7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one (PubChem CID 123967698) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one.

Molecular Properties

Compound Name7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one
PubChem CID123967698
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one
SMILESCOC1=C2C(C)CCC3(C)CC4(C5COC5CC(OC)C4(C)C1=O)C23C
InChIInChI=1S/C22H32O4/c1-12-7-8-19(2)11-22-13-10-26-14(13)9-15(24-5)20(22,3)18(23)17(25-6)16(12)21(19,22)4/h12-15H,7-11H2,1-6H3
InChIKeyAGOILQBECVYVOV-UHFFFAOYSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one?
The IUPAC name of 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one (CID 123967698) is 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one.
What is the SMILES notation for 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one?
The canonical SMILES for 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one is COC1=C2C(C)CCC3(C)CC4(C5COC5CC(OC)C4(C)C1=O)C23C.
What is the InChIKey of 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one?
The InChIKey is AGOILQBECVYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4/c1-12-7-8-19(2)11-22-13-10-26-14(13)9-15(24-5)20(22,3)18(23)17(25-6)16(12)21(19,22)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one?
7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one has a molecular weight of 360.49 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethoxy-8,12,15,17-tetramethyl-4-oxapentacyclo[9.5.1.01,8.02,5.015,17]heptadec-10-en-9-one is sourced from PubChem (CID 123967698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).