16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene

C30H28O3 — CID 24860506

IUPAC16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene
SMILESCOc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1OC)CC2
InChIInChI=1S/C30H28O3/c1-31-28-18-13-23-8-7-22-12-17-27(29(19-22)32-2)26-6-4-3-5-24(26)14-9-21-10-15-25(16-11-21)33-30(28)20-23/h3-6,10-13,15-20H,7-9,14H2,1-2H3
InChIKeyBXLSIUXUNIEEJB-UHFFFAOYSA-N
MW436.55 g/mol
LogP7.05
Rot. Bonds2

About 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene

16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene (PubChem CID 24860506) has the molecular formula C30H28O3 and a molecular weight of 436.55 g/mol. Its IUPAC name is 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene.

Molecular Properties

Compound Name16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene
PubChem CID24860506
Molecular FormulaC30H28O3
Molecular Weight436.55 g/mol
Exact Mass436.20
IUPAC Name16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene
SMILESCOc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1OC)CC2
InChIInChI=1S/C30H28O3/c1-31-28-18-13-23-8-7-22-12-17-27(29(19-22)32-2)26-6-4-3-5-24(26)14-9-21-10-15-25(16-11-21)33-30(28)20-23/h3-6,10-13,15-20H,7-9,14H2,1-2H3
InChIKeyBXLSIUXUNIEEJB-UHFFFAOYSA-N
XLogP7.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene?
The IUPAC name of 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene (CID 24860506) is 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene.
What is the SMILES notation for 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene?
The canonical SMILES for 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene is COc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1OC)CC2.
What is the InChIKey of 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene?
The InChIKey is BXLSIUXUNIEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O3/c1-31-28-18-13-23-8-7-22-12-17-27(29(19-22)32-2)26-6-4-3-5-24(26)14-9-21-10-15-25(16-11-21)33-30(28)20-23/h3-6,10-13,15-20H,7-9,14H2,1-2H3.
What are the key properties of 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene?
16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene has a molecular weight of 436.55 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,24-dimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene is sourced from PubChem (CID 24860506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).