2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane

C14H24O5 — CID 70503681

IUPAC2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane
SMILESCCCC1(C)OCCCC23OCCOC12OCCO3
InChIInChI=1S/C14H24O5/c1-3-5-12(2)14-13(6-4-7-15-12,16-8-10-18-14)17-9-11-19-14/h3-11H2,1-2H3
InChIKeyURDQQDQRTBVEDI-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.84
Rot. Bonds2

About 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane

2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane (PubChem CID 70503681) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane.

Molecular Properties

Compound Name2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane
PubChem CID70503681
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane
SMILESCCCC1(C)OCCCC23OCCOC12OCCO3
InChIInChI=1S/C14H24O5/c1-3-5-12(2)14-13(6-4-7-15-12,16-8-10-18-14)17-9-11-19-14/h3-11H2,1-2H3
InChIKeyURDQQDQRTBVEDI-UHFFFAOYSA-N
XLogP1.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane?
The IUPAC name of 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane (CID 70503681) is 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane.
What is the SMILES notation for 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane?
The canonical SMILES for 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane is CCCC1(C)OCCCC23OCCOC12OCCO3.
What is the InChIKey of 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane?
The InChIKey is URDQQDQRTBVEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-3-5-12(2)14-13(6-4-7-15-12,16-8-10-18-14)17-9-11-19-14/h3-11H2,1-2H3.
What are the key properties of 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane?
2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane has a molecular weight of 272.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propyl-3,8,11,12,15-pentaoxatricyclo[5.4.4.01,7]pentadecane is sourced from PubChem (CID 70503681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).