7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene

C23H28O2 — CID 91542540

IUPAC7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene
SMILESCC1=C(C)C2=CC=CC3OCCCCCCOc4cccc(c4C23)C1
InChIInChI=1S/C23H28O2/c1-16-15-18-9-7-11-20-22(18)23-19(17(16)2)10-8-12-21(23)25-14-6-4-3-5-13-24-20/h7-12,21,23H,3-6,13-15H2,1-2H3
InChIKeyDUCWLRSNJQVMRF-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.50
Rot. Bonds

About 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene

7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene (PubChem CID 91542540) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene.

Molecular Properties

Compound Name7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene
PubChem CID91542540
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene
SMILESCC1=C(C)C2=CC=CC3OCCCCCCOc4cccc(c4C23)C1
InChIInChI=1S/C23H28O2/c1-16-15-18-9-7-11-20-22(18)23-19(17(16)2)10-8-12-21(23)25-14-6-4-3-5-13-24-20/h7-12,21,23H,3-6,13-15H2,1-2H3
InChIKeyDUCWLRSNJQVMRF-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene?
The IUPAC name of 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene (CID 91542540) is 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene.
What is the SMILES notation for 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene?
The canonical SMILES for 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene is CC1=C(C)C2=CC=CC3OCCCCCCOc4cccc(c4C23)C1.
What is the InChIKey of 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene?
The InChIKey is DUCWLRSNJQVMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-16-15-18-9-7-11-20-22(18)23-19(17(16)2)10-8-12-21(23)25-14-6-4-3-5-13-24-20/h7-12,21,23H,3-6,13-15H2,1-2H3.
What are the key properties of 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene?
7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene has a molecular weight of 336.48 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-14,21-dioxatetracyclo[11.8.2.05,22.09,23]tricosa-1,3,5(22),7,9,11-hexaene is sourced from PubChem (CID 91542540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).