(5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane

C15H24O3 — CID 14912938

IUPAC(5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane
SMILESC1COC2(C1)[C@@]1(CCCO1)CCC[C@@]21CCCO1
InChIInChI=1S/C15H24O3/c1-5-13(7-2-10-16-13)15(9-4-12-18-15)14(6-1)8-3-11-17-14/h1-12H2/t13-,14+,15?
InChIKeyUCEUCSZRNQHMDC-YIONKMFJSA-N
MW252.35 g/mol
LogP2.82
Rot. Bonds

About (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane

(5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane (PubChem CID 14912938) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane.

Molecular Properties

Compound Name(5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane
PubChem CID14912938
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane
SMILESC1COC2(C1)[C@@]1(CCCO1)CCC[C@@]21CCCO1
InChIInChI=1S/C15H24O3/c1-5-13(7-2-10-16-13)15(9-4-12-18-15)14(6-1)8-3-11-17-14/h1-12H2/t13-,14+,15?
InChIKeyUCEUCSZRNQHMDC-YIONKMFJSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane?
The IUPAC name of (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane (CID 14912938) is (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane.
What is the SMILES notation for (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane?
The canonical SMILES for (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane is C1COC2(C1)[C@@]1(CCCO1)CCC[C@@]21CCCO1.
What is the InChIKey of (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane?
The InChIKey is UCEUCSZRNQHMDC-YIONKMFJSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-13(7-2-10-16-13)15(9-4-12-18-15)14(6-1)8-3-11-17-14/h1-12H2/t13-,14+,15?.
What are the key properties of (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane?
(5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane has a molecular weight of 252.35 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11R)-4,7,12-trioxatrispiro[4.0.46.0.411.35]octadecane is sourced from PubChem (CID 14912938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).