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

C15H28O2 — CID 134986609

IUPAC2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCCCCC1(C)C(CCC)C12OCCO2
InChIInChI=1S/C15H28O2/c1-4-6-7-8-10-14(3)13(9-5-2)15(14)16-11-12-17-15/h13H,4-12H2,1-3H3
InChIKeyRLCLHMZAVAWJMV-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.14
Rot. Bonds7

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

2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 134986609) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane
PubChem CID134986609
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCCCCC1(C)C(CCC)C12OCCO2
InChIInChI=1S/C15H28O2/c1-4-6-7-8-10-14(3)13(9-5-2)15(14)16-11-12-17-15/h13H,4-12H2,1-3H3
InChIKeyRLCLHMZAVAWJMV-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane (CID 134986609) is 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane is CCCCCCC1(C)C(CCC)C12OCCO2.
What is the InChIKey of 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is RLCLHMZAVAWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-7-8-10-14(3)13(9-5-2)15(14)16-11-12-17-15/h13H,4-12H2,1-3H3.
What are the key properties of 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane?
2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 240.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyl-1-propyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 134986609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).