2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane

C22H26O2 — CID 58180764

IUPAC2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane
SMILESc1ccc2cc3c(cc2c1)CC1CCCCC1CC3OCC1CO1
InChIInChI=1S/C22H26O2/c1-3-7-17-11-21-19(9-15(17)5-1)10-16-6-2-4-8-18(16)12-22(21)24-14-20-13-23-20/h1,3,5,7,9,11,16,18,20,22H,2,4,6,8,10,12-14H2
InChIKeyDSYLUHOAKJCUHQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.05
Rot. Bonds3

About 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane

2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane (PubChem CID 58180764) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane.

Molecular Properties

Compound Name2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane
PubChem CID58180764
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane
SMILESc1ccc2cc3c(cc2c1)CC1CCCCC1CC3OCC1CO1
InChIInChI=1S/C22H26O2/c1-3-7-17-11-21-19(9-15(17)5-1)10-16-6-2-4-8-18(16)12-22(21)24-14-20-13-23-20/h1,3,5,7,9,11,16,18,20,22H,2,4,6,8,10,12-14H2
InChIKeyDSYLUHOAKJCUHQ-UHFFFAOYSA-N
XLogP5.05
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane?
The IUPAC name of 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane (CID 58180764) is 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane.
What is the SMILES notation for 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane?
The canonical SMILES for 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane is c1ccc2cc3c(cc2c1)CC1CCCCC1CC3OCC1CO1.
What is the InChIKey of 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane?
The InChIKey is DSYLUHOAKJCUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-7-17-11-21-19(9-15(17)5-1)10-16-6-2-4-8-18(16)12-22(21)24-14-20-13-23-20/h1,3,5,7,9,11,16,18,20,22H,2,4,6,8,10,12-14H2.
What are the key properties of 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane?
2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane has a molecular weight of 322.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane is sourced from PubChem (CID 58180764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).