8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane

C15H26O3 — CID 14738884

IUPAC8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane
SMILESC=C1CC(CCCCC)OC12OCC(C)(C)CO2
InChIInChI=1S/C15H26O3/c1-5-6-7-8-13-9-12(2)15(18-13)16-10-14(3,4)11-17-15/h13H,2,5-11H2,1,3-4H3
InChIKeyVIPUPORCNMBEJE-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.64
Rot. Bonds4

About 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane

8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane (PubChem CID 14738884) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane
PubChem CID14738884
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane
SMILESC=C1CC(CCCCC)OC12OCC(C)(C)CO2
InChIInChI=1S/C15H26O3/c1-5-6-7-8-13-9-12(2)15(18-13)16-10-14(3,4)11-17-15/h13H,2,5-11H2,1,3-4H3
InChIKeyVIPUPORCNMBEJE-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane (CID 14738884) is 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane is C=C1CC(CCCCC)OC12OCC(C)(C)CO2.
What is the InChIKey of 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane?
The InChIKey is VIPUPORCNMBEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-6-7-8-13-9-12(2)15(18-13)16-10-14(3,4)11-17-15/h13H,2,5-11H2,1,3-4H3.
What are the key properties of 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane?
8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane has a molecular weight of 254.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-methylidene-2-pentyl-1,6,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 14738884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).