(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate

C22H24O4 — CID 4055527

IUPAC(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
SMILESCC(=O)OC1Cc2cc(C)ccc2C(OC(C)=O)Cc2cc(C)ccc21
InChIInChI=1S/C22H24O4/c1-13-5-7-19-17(9-13)11-21(25-15(3)23)20-8-6-14(2)10-18(20)12-22(19)26-16(4)24/h5-10,21-22H,11-12H2,1-4H3
InChIKeyUUSCQQVMVQKFMU-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.31
Rot. Bonds2

About (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate

(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate (PubChem CID 4055527) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate.

Molecular Properties

Compound Name(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
PubChem CID4055527
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
SMILESCC(=O)OC1Cc2cc(C)ccc2C(OC(C)=O)Cc2cc(C)ccc21
InChIInChI=1S/C22H24O4/c1-13-5-7-19-17(9-13)11-21(25-15(3)23)20-8-6-14(2)10-18(20)12-22(19)26-16(4)24/h5-10,21-22H,11-12H2,1-4H3
InChIKeyUUSCQQVMVQKFMU-UHFFFAOYSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate?
The IUPAC name of (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate (CID 4055527) is (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate.
What is the SMILES notation for (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate?
The canonical SMILES for (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate is CC(=O)OC1Cc2cc(C)ccc2C(OC(C)=O)Cc2cc(C)ccc21.
What is the InChIKey of (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate?
The InChIKey is UUSCQQVMVQKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-13-5-7-19-17(9-13)11-21(25-15(3)23)20-8-6-14(2)10-18(20)12-22(19)26-16(4)24/h5-10,21-22H,11-12H2,1-4H3.
What are the key properties of (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate?
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate has a molecular weight of 352.43 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate is sourced from PubChem (CID 4055527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).