7-oxabicyclo[11.11.1]pentacosane

C24H46O — CID 135063961

IUPAC7-oxabicyclo[11.11.1]pentacosane
SMILESC1CCCCCC2CCCCCOCCCCCC(CCCCC1)C2
InChIInChI=1S/C24H46O/c1-2-4-6-10-16-23-18-12-8-14-20-25-21-15-9-13-19-24(22-23)17-11-7-5-3-1/h23-24H,1-22H2
InChIKeyRRJWHQJGPVNMFP-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.06
Rot. Bonds

About 7-oxabicyclo[11.11.1]pentacosane

7-oxabicyclo[11.11.1]pentacosane (PubChem CID 135063961) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 7-oxabicyclo[11.11.1]pentacosane.

Molecular Properties

Compound Name7-oxabicyclo[11.11.1]pentacosane
PubChem CID135063961
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name7-oxabicyclo[11.11.1]pentacosane
SMILESC1CCCCCC2CCCCCOCCCCCC(CCCCC1)C2
InChIInChI=1S/C24H46O/c1-2-4-6-10-16-23-18-12-8-14-20-25-21-15-9-13-19-24(22-23)17-11-7-5-3-1/h23-24H,1-22H2
InChIKeyRRJWHQJGPVNMFP-UHFFFAOYSA-N
XLogP8.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[11.11.1]pentacosane?
The IUPAC name of 7-oxabicyclo[11.11.1]pentacosane (CID 135063961) is 7-oxabicyclo[11.11.1]pentacosane.
What is the SMILES notation for 7-oxabicyclo[11.11.1]pentacosane?
The canonical SMILES for 7-oxabicyclo[11.11.1]pentacosane is C1CCCCCC2CCCCCOCCCCCC(CCCCC1)C2.
What is the InChIKey of 7-oxabicyclo[11.11.1]pentacosane?
The InChIKey is RRJWHQJGPVNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-2-4-6-10-16-23-18-12-8-14-20-25-21-15-9-13-19-24(22-23)17-11-7-5-3-1/h23-24H,1-22H2.
What are the key properties of 7-oxabicyclo[11.11.1]pentacosane?
7-oxabicyclo[11.11.1]pentacosane has a molecular weight of 350.63 g/mol, XLogP of 8.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[11.11.1]pentacosane is sourced from PubChem (CID 135063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).