(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane

C10H18O4 — CID 174109479

IUPAC(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane
SMILESCCC1CO[C@]2(CCC(OC)CO2)O1
InChIInChI=1S/C10H18O4/c1-3-8-6-12-10(14-8)5-4-9(11-2)7-13-10/h8-9H,3-7H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeySDCBARBIXPZJOX-RTBKNWGFSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds2

About (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane

(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane (PubChem CID 174109479) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane
PubChem CID174109479
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane
SMILESCCC1CO[C@]2(CCC(OC)CO2)O1
InChIInChI=1S/C10H18O4/c1-3-8-6-12-10(14-8)5-4-9(11-2)7-13-10/h8-9H,3-7H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeySDCBARBIXPZJOX-RTBKNWGFSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane?
The IUPAC name of (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane (CID 174109479) is (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane.
What is the SMILES notation for (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane?
The canonical SMILES for (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane is CCC1CO[C@]2(CCC(OC)CO2)O1.
What is the InChIKey of (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane?
The InChIKey is SDCBARBIXPZJOX-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-8-6-12-10(14-8)5-4-9(11-2)7-13-10/h8-9H,3-7H2,1-2H3/t8?,9?,10-/m0/s1.
What are the key properties of (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane?
(5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane has a molecular weight of 202.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-8-methoxy-1,4,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 174109479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).