17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane

C15H28O5 — CID 14045652

IUPAC17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
SMILESCC1CCC2OCCOCCOCCOCCOC2C1
InChIInChI=1S/C15H28O5/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14/h13-15H,2-12H2,1H3
InChIKeyBDPCBSSZHJXWLT-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.64
Rot. Bonds

About 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane

17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane (PubChem CID 14045652) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane.

Molecular Properties

Compound Name17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
PubChem CID14045652
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
SMILESCC1CCC2OCCOCCOCCOCCOC2C1
InChIInChI=1S/C15H28O5/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14/h13-15H,2-12H2,1H3
InChIKeyBDPCBSSZHJXWLT-UHFFFAOYSA-N
XLogP1.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
The IUPAC name of 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane (CID 14045652) is 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane.
What is the SMILES notation for 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
The canonical SMILES for 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane is CC1CCC2OCCOCCOCCOCCOC2C1.
What is the InChIKey of 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
The InChIKey is BDPCBSSZHJXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14/h13-15H,2-12H2,1H3.
What are the key properties of 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane has a molecular weight of 288.38 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane is sourced from PubChem (CID 14045652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).