2-decan-2-yl-1-oxaspiro[2.2]pentane

C14H26O — CID 123552525

IUPAC2-decan-2-yl-1-oxaspiro[2.2]pentane
SMILESCCCCCCCCC(C)C1OC12CC2
InChIInChI=1S/C14H26O/c1-3-4-5-6-7-8-9-12(2)13-14(15-13)10-11-14/h12-13H,3-11H2,1-2H3
InChIKeyAUERPQZCQCWPGD-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.30
Rot. Bonds8

About 2-decan-2-yl-1-oxaspiro[2.2]pentane

2-decan-2-yl-1-oxaspiro[2.2]pentane (PubChem CID 123552525) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-decan-2-yl-1-oxaspiro[2.2]pentane.

Molecular Properties

Compound Name2-decan-2-yl-1-oxaspiro[2.2]pentane
PubChem CID123552525
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-decan-2-yl-1-oxaspiro[2.2]pentane
SMILESCCCCCCCCC(C)C1OC12CC2
InChIInChI=1S/C14H26O/c1-3-4-5-6-7-8-9-12(2)13-14(15-13)10-11-14/h12-13H,3-11H2,1-2H3
InChIKeyAUERPQZCQCWPGD-UHFFFAOYSA-N
XLogP4.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decan-2-yl-1-oxaspiro[2.2]pentane?
The IUPAC name of 2-decan-2-yl-1-oxaspiro[2.2]pentane (CID 123552525) is 2-decan-2-yl-1-oxaspiro[2.2]pentane.
What is the SMILES notation for 2-decan-2-yl-1-oxaspiro[2.2]pentane?
The canonical SMILES for 2-decan-2-yl-1-oxaspiro[2.2]pentane is CCCCCCCCC(C)C1OC12CC2.
What is the InChIKey of 2-decan-2-yl-1-oxaspiro[2.2]pentane?
The InChIKey is AUERPQZCQCWPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-12(2)13-14(15-13)10-11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-decan-2-yl-1-oxaspiro[2.2]pentane?
2-decan-2-yl-1-oxaspiro[2.2]pentane has a molecular weight of 210.36 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yl-1-oxaspiro[2.2]pentane is sourced from PubChem (CID 123552525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).