1,4-dioxadispiro[4.1.57.15]tridecane

C11H18O2 — CID 177024973

IUPAC1,4-dioxadispiro[4.1.57.15]tridecane
SMILESC1CCC2(CC1)CC1(C2)OCCO1
InChIInChI=1S/C11H18O2/c1-2-4-10(5-3-1)8-11(9-10)12-6-7-13-11/h1-9H2
InChIKeyVJEJORFDEQHNSH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.47
Rot. Bonds

About 1,4-dioxadispiro[4.1.57.15]tridecane

1,4-dioxadispiro[4.1.57.15]tridecane (PubChem CID 177024973) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,4-dioxadispiro[4.1.57.15]tridecane.

Molecular Properties

Compound Name1,4-dioxadispiro[4.1.57.15]tridecane
PubChem CID177024973
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1,4-dioxadispiro[4.1.57.15]tridecane
SMILESC1CCC2(CC1)CC1(C2)OCCO1
InChIInChI=1S/C11H18O2/c1-2-4-10(5-3-1)8-11(9-10)12-6-7-13-11/h1-9H2
InChIKeyVJEJORFDEQHNSH-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
CID 142351057
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
4,9-dioxaspiro[2.6]nonane
CID 68651979
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
CID 127263574
7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine
CID 130068106
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 91594454
spiro[2.7]decane
CID 12657449
8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
CID 118423720
7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxadispiro[4.1.57.15]tridecane?
The IUPAC name of 1,4-dioxadispiro[4.1.57.15]tridecane (CID 177024973) is 1,4-dioxadispiro[4.1.57.15]tridecane.
What is the SMILES notation for 1,4-dioxadispiro[4.1.57.15]tridecane?
The canonical SMILES for 1,4-dioxadispiro[4.1.57.15]tridecane is C1CCC2(CC1)CC1(C2)OCCO1.
What is the InChIKey of 1,4-dioxadispiro[4.1.57.15]tridecane?
The InChIKey is VJEJORFDEQHNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-4-10(5-3-1)8-11(9-10)12-6-7-13-11/h1-9H2.
What are the key properties of 1,4-dioxadispiro[4.1.57.15]tridecane?
1,4-dioxadispiro[4.1.57.15]tridecane has a molecular weight of 182.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxadispiro[4.1.57.15]tridecane is sourced from PubChem (CID 177024973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).