(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane

C11H18O4 — CID 11637098

IUPAC(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
SMILESC[C@H]1CC[C@@]2(C[C@@]3(CC[C@H](C)O3)OO2)O1
InChIInChI=1S/C11H18O4/c1-8-3-5-10(12-8)7-11(15-14-10)6-4-9(2)13-11/h8-9H,3-7H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyWZWVIYLWIRLKDX-UKKRHICBSA-N
MW214.26 g/mol
LogP2.13
Rot. Bonds

About (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane

(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane (PubChem CID 11637098) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane.

Molecular Properties

Compound Name(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
PubChem CID11637098
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
SMILESC[C@H]1CC[C@@]2(C[C@@]3(CC[C@H](C)O3)OO2)O1
InChIInChI=1S/C11H18O4/c1-8-3-5-10(12-8)7-11(15-14-10)6-4-9(2)13-11/h8-9H,3-7H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyWZWVIYLWIRLKDX-UKKRHICBSA-N
XLogP2.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane?
The IUPAC name of (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane (CID 11637098) is (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane.
What is the SMILES notation for (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane?
The canonical SMILES for (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane is C[C@H]1CC[C@@]2(C[C@@]3(CC[C@H](C)O3)OO2)O1.
What is the InChIKey of (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane?
The InChIKey is WZWVIYLWIRLKDX-UKKRHICBSA-N. The full InChI is InChI=1S/C11H18O4/c1-8-3-5-10(12-8)7-11(15-14-10)6-4-9(2)13-11/h8-9H,3-7H2,1-2H3/t8-,9-,10+,11+/m0/s1.
What are the key properties of (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane?
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane has a molecular weight of 214.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane is sourced from PubChem (CID 11637098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).