7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate

C17H22O5 — CID 154233286

IUPAC7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate
SMILESO=C(OC1CCC2OC2C1)OC1CC2CC1C1CC3OC3C21
InChIInChI=1S/C17H22O5/c18-17(19-8-1-2-11-13(5-8)20-11)22-12-4-7-3-9(12)10-6-14-16(21-14)15(7)10/h7-16H,1-6H2
InChIKeyUJRSPGRBTZVXLK-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.27
Rot. Bonds2

About 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate

7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate (PubChem CID 154233286) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate
PubChem CID154233286
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate
SMILESO=C(OC1CCC2OC2C1)OC1CC2CC1C1CC3OC3C21
InChIInChI=1S/C17H22O5/c18-17(19-8-1-2-11-13(5-8)20-11)22-12-4-7-3-9(12)10-6-14-16(21-14)15(7)10/h7-16H,1-6H2
InChIKeyUJRSPGRBTZVXLK-UHFFFAOYSA-N
XLogP2.27
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate?
The IUPAC name of 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate (CID 154233286) is 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate is O=C(OC1CCC2OC2C1)OC1CC2CC1C1CC3OC3C21.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate?
The InChIKey is UJRSPGRBTZVXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O5/c18-17(19-8-1-2-11-13(5-8)20-11)22-12-4-7-3-9(12)10-6-14-16(21-14)15(7)10/h7-16H,1-6H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate?
7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate has a molecular weight of 306.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate is sourced from PubChem (CID 154233286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).