(6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane

C15H26O3 — CID 139254045

IUPAC(6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESCC(C)[C@H]1CCC[C@@]2(CC[C@]3(CCCCO3)O2)O1
InChIInChI=1S/C15H26O3/c1-12(2)13-6-5-8-15(17-13)10-9-14(18-15)7-3-4-11-16-14/h12-13H,3-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyZFDAKRIDBYJWOF-QLFBSQMISA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds1

About (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane

(6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane (PubChem CID 139254045) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name(6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
PubChem CID139254045
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESCC(C)[C@H]1CCC[C@@]2(CC[C@]3(CCCCO3)O2)O1
InChIInChI=1S/C15H26O3/c1-12(2)13-6-5-8-15(17-13)10-9-14(18-15)7-3-4-11-16-14/h12-13H,3-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyZFDAKRIDBYJWOF-QLFBSQMISA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane (CID 139254045) is (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane is CC(C)[C@H]1CCC[C@@]2(CC[C@]3(CCCCO3)O2)O1.
What is the InChIKey of (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The InChIKey is ZFDAKRIDBYJWOF-QLFBSQMISA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)13-6-5-8-15(17-13)10-9-14(18-15)7-3-4-11-16-14/h12-13H,3-11H2,1-2H3/t13-,14+,15-/m1/s1.
What are the key properties of (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
(6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane has a molecular weight of 254.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,10R)-10-propan-2-yl-5,7,9-trioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 139254045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).