22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene

C22H36O — CID 134915318

IUPAC22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene
SMILESC1=C2CCCCCCC(=CO1)C1CCCCCCCCCCC21
InChIInChI=1S/C22H36O/c1-2-4-6-12-16-22-20-14-10-8-7-9-13-19(17-23-18-20)21(22)15-11-5-3-1/h17-18,21-22H,1-16H2
InChIKeyONUKLPVAOKYQKK-UHFFFAOYSA-N
MW316.53 g/mol
LogP7.29
Rot. Bonds

About 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene

22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene (PubChem CID 134915318) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene.

Molecular Properties

Compound Name22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene
PubChem CID134915318
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene
SMILESC1=C2CCCCCCC(=CO1)C1CCCCCCCCCCC21
InChIInChI=1S/C22H36O/c1-2-4-6-12-16-22-20-14-10-8-7-9-13-19(17-23-18-20)21(22)15-11-5-3-1/h17-18,21-22H,1-16H2
InChIKeyONUKLPVAOKYQKK-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene?
The IUPAC name of 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene (CID 134915318) is 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene.
What is the SMILES notation for 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene?
The canonical SMILES for 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene is C1=C2CCCCCCC(=CO1)C1CCCCCCCCCCC21.
What is the InChIKey of 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene?
The InChIKey is ONUKLPVAOKYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O/c1-2-4-6-12-16-22-20-14-10-8-7-9-13-19(17-23-18-20)21(22)15-11-5-3-1/h17-18,21-22H,1-16H2.
What are the key properties of 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene?
22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene has a molecular weight of 316.53 g/mol, XLogP of 7.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-oxatricyclo[12.6.3.02,13]tricosa-1(21),14(23)-diene is sourced from PubChem (CID 134915318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).