(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane

C14H24O3 — CID 139254043

IUPAC(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESC[C@H]1CCC[C@@]2(CC[C@@]3(CCC[C@H](C)O3)O2)O1
InChIInChI=1S/C14H24O3/c1-11-5-3-7-13(15-11)9-10-14(17-13)8-4-6-12(2)16-14/h11-12H,3-10H2,1-2H3/t11-,12-,13+,14+/m0/s1
InChIKeyDTHFNKNDKPYZBG-IGQOVBAYSA-N
MW240.34 g/mol
LogP3.37
Rot. Bonds

About (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane

(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane (PubChem CID 139254043) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
PubChem CID139254043
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESC[C@H]1CCC[C@@]2(CC[C@@]3(CCC[C@H](C)O3)O2)O1
InChIInChI=1S/C14H24O3/c1-11-5-3-7-13(15-11)9-10-14(17-13)8-4-6-12(2)16-14/h11-12H,3-10H2,1-2H3/t11-,12-,13+,14+/m0/s1
InChIKeyDTHFNKNDKPYZBG-IGQOVBAYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane (CID 139254043) is (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane is C[C@H]1CCC[C@@]2(CC[C@@]3(CCC[C@H](C)O3)O2)O1.
What is the InChIKey of (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The InChIKey is DTHFNKNDKPYZBG-IGQOVBAYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11-5-3-7-13(15-11)9-10-14(17-13)8-4-6-12(2)16-14/h11-12H,3-10H2,1-2H3/t11-,12-,13+,14+/m0/s1.
What are the key properties of (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane has a molecular weight of 240.34 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 139254043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).