12-oxadispiro[4.1.47.35]tetradecane

C13H22O — CID 12728377

IUPAC12-oxadispiro[4.1.47.35]tetradecane
SMILESC1CCC2(C1)CCOC1(CCCC1)C2
InChIInChI=1S/C13H22O/c1-2-6-12(5-1)9-10-14-13(11-12)7-3-4-8-13/h1-11H2
InChIKeyBIBFTBIUOLFFMP-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.67
Rot. Bonds

About 12-oxadispiro[4.1.47.35]tetradecane

12-oxadispiro[4.1.47.35]tetradecane (PubChem CID 12728377) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 12-oxadispiro[4.1.47.35]tetradecane.

Molecular Properties

Compound Name12-oxadispiro[4.1.47.35]tetradecane
PubChem CID12728377
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name12-oxadispiro[4.1.47.35]tetradecane
SMILESC1CCC2(C1)CCOC1(CCCC1)C2
InChIInChI=1S/C13H22O/c1-2-6-12(5-1)9-10-14-13(11-12)7-3-4-8-13/h1-11H2
InChIKeyBIBFTBIUOLFFMP-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-oxadispiro[4.1.47.35]tetradecane?
The IUPAC name of 12-oxadispiro[4.1.47.35]tetradecane (CID 12728377) is 12-oxadispiro[4.1.47.35]tetradecane.
What is the SMILES notation for 12-oxadispiro[4.1.47.35]tetradecane?
The canonical SMILES for 12-oxadispiro[4.1.47.35]tetradecane is C1CCC2(C1)CCOC1(CCCC1)C2.
What is the InChIKey of 12-oxadispiro[4.1.47.35]tetradecane?
The InChIKey is BIBFTBIUOLFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-6-12(5-1)9-10-14-13(11-12)7-3-4-8-13/h1-11H2.
What are the key properties of 12-oxadispiro[4.1.47.35]tetradecane?
12-oxadispiro[4.1.47.35]tetradecane has a molecular weight of 194.32 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxadispiro[4.1.47.35]tetradecane is sourced from PubChem (CID 12728377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).