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

C18H34O5 — CID 3293438

IUPAC17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
SMILESCC(C)(C)C1CCC2OCCOCCOCCOCCOC2C1
InChIInChI=1S/C18H34O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h15-17H,4-14H2,1-3H3
InChIKeyKEDVODGFVKTPLB-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.67
Rot. Bonds

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

17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane (PubChem CID 3293438) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane.

Molecular Properties

Compound Name17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
PubChem CID3293438
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
SMILESCC(C)(C)C1CCC2OCCOCCOCCOCCOC2C1
InChIInChI=1S/C18H34O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h15-17H,4-14H2,1-3H3
InChIKeyKEDVODGFVKTPLB-UHFFFAOYSA-N
XLogP2.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 63465404
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CID 64256405
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CID 124934802
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CID 2733184
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Frequently Asked Questions

What is the IUPAC name of 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
The IUPAC name of 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane (CID 3293438) is 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane.
What is the SMILES notation for 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
The canonical SMILES for 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane is CC(C)(C)C1CCC2OCCOCCOCCOCCOC2C1.
What is the InChIKey of 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
The InChIKey is KEDVODGFVKTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h15-17H,4-14H2,1-3H3.
What are the key properties of 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane?
17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane has a molecular weight of 330.47 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane is sourced from PubChem (CID 3293438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).