1-oxaspiro[2.11]tetradecane

C13H24O — CID 11019800

IUPAC1-oxaspiro[2.11]tetradecane
SMILESC1CCCCCC2(CCCCC1)CO2
InChIInChI=1S/C13H24O/c1-2-4-6-8-10-13(12-14-13)11-9-7-5-3-1/h1-12H2
InChIKeyVFBHDCNVUNWDTC-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.06
Rot. Bonds

About 1-oxaspiro[2.11]tetradecane

1-oxaspiro[2.11]tetradecane (PubChem CID 11019800) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-oxaspiro[2.11]tetradecane.

Molecular Properties

Compound Name1-oxaspiro[2.11]tetradecane
PubChem CID11019800
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-oxaspiro[2.11]tetradecane
SMILESC1CCCCCC2(CCCCC1)CO2
InChIInChI=1S/C13H24O/c1-2-4-6-8-10-13(12-14-13)11-9-7-5-3-1/h1-12H2
InChIKeyVFBHDCNVUNWDTC-UHFFFAOYSA-N
XLogP4.06
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 559073
1-Oxaspiro[2.7]decane
CID 13240757
1,2-Epoxy-8-methyldecane
CID 86091626
(2R)-2-methyl-2-pentyloxirane
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2-Methyl-2-nonyloxirane
CID 10932115

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[2.11]tetradecane?
The IUPAC name of 1-oxaspiro[2.11]tetradecane (CID 11019800) is 1-oxaspiro[2.11]tetradecane.
What is the SMILES notation for 1-oxaspiro[2.11]tetradecane?
The canonical SMILES for 1-oxaspiro[2.11]tetradecane is C1CCCCCC2(CCCCC1)CO2.
What is the InChIKey of 1-oxaspiro[2.11]tetradecane?
The InChIKey is VFBHDCNVUNWDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-4-6-8-10-13(12-14-13)11-9-7-5-3-1/h1-12H2.
What are the key properties of 1-oxaspiro[2.11]tetradecane?
1-oxaspiro[2.11]tetradecane has a molecular weight of 196.33 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[2.11]tetradecane is sourced from PubChem (CID 11019800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).