2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene

C23H22O2 — CID 90716071

IUPAC2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene
SMILESCC1(C)c2ccc(cc2)OCc2ccccc2COc2ccc1cc2
InChIInChI=1S/C23H22O2/c1-23(2)19-7-11-21(12-8-19)24-15-17-5-3-4-6-18(17)16-25-22-13-9-20(23)10-14-22/h3-14H,15-16H2,1-2H3
InChIKeyYRBLWXAKRWHJOC-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.48
Rot. Bonds

About 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene

2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene (PubChem CID 90716071) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene.

Molecular Properties

Compound Name2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene
PubChem CID90716071
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene
SMILESCC1(C)c2ccc(cc2)OCc2ccccc2COc2ccc1cc2
InChIInChI=1S/C23H22O2/c1-23(2)19-7-11-21(12-8-19)24-15-17-5-3-4-6-18(17)16-25-22-13-9-20(23)10-14-22/h3-14H,15-16H2,1-2H3
InChIKeyYRBLWXAKRWHJOC-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene?
The IUPAC name of 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene (CID 90716071) is 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene.
What is the SMILES notation for 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene?
The canonical SMILES for 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene is CC1(C)c2ccc(cc2)OCc2ccccc2COc2ccc1cc2.
What is the InChIKey of 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene?
The InChIKey is YRBLWXAKRWHJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-23(2)19-7-11-21(12-8-19)24-15-17-5-3-4-6-18(17)16-25-22-13-9-20(23)10-14-22/h3-14H,15-16H2,1-2H3.
What are the key properties of 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene?
2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene has a molecular weight of 330.43 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7,16-dioxatetracyclo[15.2.2.23,6.09,14]tricosa-1(19),3(23),4,6(22),9,11,13,17,20-nonaene is sourced from PubChem (CID 90716071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).