(5S)-1,10-dioxaspiro[4.5]dec-2-ene

C8H12O2 — CID 44551304

IUPAC(5S)-1,10-dioxaspiro[4.5]dec-2-ene
SMILESC1=CO[C@]2(C1)CCCCO2
InChIInChI=1S/C8H12O2/c1-2-6-9-8(4-1)5-3-7-10-8/h3,7H,1-2,4-6H2/t8-/m0/s1
InChIKeyPOKGHAIWORXEJH-QMMMGPOBSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds

About (5S)-1,10-dioxaspiro[4.5]dec-2-ene

(5S)-1,10-dioxaspiro[4.5]dec-2-ene (PubChem CID 44551304) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5S)-1,10-dioxaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name(5S)-1,10-dioxaspiro[4.5]dec-2-ene
PubChem CID44551304
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5S)-1,10-dioxaspiro[4.5]dec-2-ene
SMILESC1=CO[C@]2(C1)CCCCO2
InChIInChI=1S/C8H12O2/c1-2-6-9-8(4-1)5-3-7-10-8/h3,7H,1-2,4-6H2/t8-/m0/s1
InChIKeyPOKGHAIWORXEJH-QMMMGPOBSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,10-dioxaspiro[4.5]dec-2-ene?
The IUPAC name of (5S)-1,10-dioxaspiro[4.5]dec-2-ene (CID 44551304) is (5S)-1,10-dioxaspiro[4.5]dec-2-ene.
What is the SMILES notation for (5S)-1,10-dioxaspiro[4.5]dec-2-ene?
The canonical SMILES for (5S)-1,10-dioxaspiro[4.5]dec-2-ene is C1=CO[C@]2(C1)CCCCO2.
What is the InChIKey of (5S)-1,10-dioxaspiro[4.5]dec-2-ene?
The InChIKey is POKGHAIWORXEJH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-9-8(4-1)5-3-7-10-8/h3,7H,1-2,4-6H2/t8-/m0/s1.
What are the key properties of (5S)-1,10-dioxaspiro[4.5]dec-2-ene?
(5S)-1,10-dioxaspiro[4.5]dec-2-ene has a molecular weight of 140.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,10-dioxaspiro[4.5]dec-2-ene is sourced from PubChem (CID 44551304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).