1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane

C9H16O2 — CID 90470477

IUPAC1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCC1C(C)C12OCCO2
InChIInChI=1S/C9H16O2/c1-3-4-8-7(2)9(8)10-5-6-11-9/h7-8H,3-6H2,1-2H3
InChIKeyUYNCLUGVDYVORB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.80
Rot. Bonds2

About 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane

1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 90470477) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
PubChem CID90470477
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCC1C(C)C12OCCO2
InChIInChI=1S/C9H16O2/c1-3-4-8-7(2)9(8)10-5-6-11-9/h7-8H,3-6H2,1-2H3
InChIKeyUYNCLUGVDYVORB-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane (CID 90470477) is 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane is CCCC1C(C)C12OCCO2.
What is the InChIKey of 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is UYNCLUGVDYVORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-8-7(2)9(8)10-5-6-11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane?
1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 156.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 90470477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).