6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

C23H14O3 — CID 58411580

IUPAC6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCOc1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1
InChIInChI=1S/C23H14O3/c1-24-23-10-16-9-14-3-5-17-18(20(14)12-22(16)26-23)4-2-13-8-15-6-7-25-21(15)11-19(13)17/h2-12H,1H3
InChIKeyHPZSLVFIESUFIZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP6.65
Rot. Bonds1

About 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (PubChem CID 58411580) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.

Molecular Properties

Compound Name6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
PubChem CID58411580
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Name6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCOc1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1
InChIInChI=1S/C23H14O3/c1-24-23-10-16-9-14-3-5-17-18(20(14)12-22(16)26-23)4-2-13-8-15-6-7-25-21(15)11-19(13)17/h2-12H,1H3
InChIKeyHPZSLVFIESUFIZ-UHFFFAOYSA-N
XLogP6.65
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The IUPAC name of 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (CID 58411580) is 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.
What is the SMILES notation for 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The canonical SMILES for 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is COc1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1.
What is the InChIKey of 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The InChIKey is HPZSLVFIESUFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c1-24-23-10-16-9-14-3-5-17-18(20(14)12-22(16)26-23)4-2-13-8-15-6-7-25-21(15)11-19(13)17/h2-12H,1H3.
What are the key properties of 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene has a molecular weight of 338.36 g/mol, XLogP of 6.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is sourced from PubChem (CID 58411580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).