12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one

C23H30O4 — CID 24798900

IUPAC12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one
SMILESCOc1c2c(c(OC)c(C(C)C)c1OC)C=CC1=C(C2)C(=O)CCC1(C)C
InChIInChI=1S/C23H30O4/c1-13(2)19-20(25-5)14-8-9-17-16(18(24)10-11-23(17,3)4)12-15(14)21(26-6)22(19)27-7/h8-9,13H,10-12H2,1-7H3
InChIKeyBMGVRVQOGDUJAH-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.09
Rot. Bonds4

About 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one

12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one (PubChem CID 24798900) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one.

Molecular Properties

Compound Name12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one
PubChem CID24798900
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one
SMILESCOc1c2c(c(OC)c(C(C)C)c1OC)C=CC1=C(C2)C(=O)CCC1(C)C
InChIInChI=1S/C23H30O4/c1-13(2)19-20(25-5)14-8-9-17-16(18(24)10-11-23(17,3)4)12-15(14)21(26-6)22(19)27-7/h8-9,13H,10-12H2,1-7H3
InChIKeyBMGVRVQOGDUJAH-UHFFFAOYSA-N
XLogP5.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one?
The IUPAC name of 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one (CID 24798900) is 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one.
What is the SMILES notation for 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one?
The canonical SMILES for 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one is COc1c2c(c(OC)c(C(C)C)c1OC)C=CC1=C(C2)C(=O)CCC1(C)C.
What is the InChIKey of 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one?
The InChIKey is BMGVRVQOGDUJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-13(2)19-20(25-5)14-8-9-17-16(18(24)10-11-23(17,3)4)12-15(14)21(26-6)22(19)27-7/h8-9,13H,10-12H2,1-7H3.
What are the key properties of 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one?
12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one has a molecular weight of 370.49 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14,15-trimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),9,12,14-pentaen-4-one is sourced from PubChem (CID 24798900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).