2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane

C15H28O4 — CID 71110903

IUPAC2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane
SMILESCCCC(CCC)(CC1OC(C)O1)CC1OC(C)O1
InChIInChI=1S/C15H28O4/c1-5-7-15(8-6-2,9-13-16-11(3)17-13)10-14-18-12(4)19-14/h11-14H,5-10H2,1-4H3
InChIKeyXDYIKIBEKVVQDW-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.79
Rot. Bonds8

About 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane

2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane (PubChem CID 71110903) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane.

Molecular Properties

Compound Name2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane
PubChem CID71110903
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane
SMILESCCCC(CCC)(CC1OC(C)O1)CC1OC(C)O1
InChIInChI=1S/C15H28O4/c1-5-7-15(8-6-2,9-13-16-11(3)17-13)10-14-18-12(4)19-14/h11-14H,5-10H2,1-4H3
InChIKeyXDYIKIBEKVVQDW-UHFFFAOYSA-N
XLogP3.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane?
The IUPAC name of 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane (CID 71110903) is 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane.
What is the SMILES notation for 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane?
The canonical SMILES for 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane is CCCC(CCC)(CC1OC(C)O1)CC1OC(C)O1.
What is the InChIKey of 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane?
The InChIKey is XDYIKIBEKVVQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-7-15(8-6-2,9-13-16-11(3)17-13)10-14-18-12(4)19-14/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane?
2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane has a molecular weight of 272.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(4-methyl-1,3-dioxetan-2-yl)methyl]-2-propylpentyl]-1,3-dioxetane is sourced from PubChem (CID 71110903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).