8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C13H18O3 — CID 58562577

IUPAC8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(C2=CCC3(CC2)OCCO3)CCOC1
InChIInChI=1S/C13H18O3/c1-5-13(15-9-10-16-13)6-2-11(1)12-3-7-14-8-4-12/h1,3H,2,4-10H2
InChIKeyRTJMLRKTJTZHCA-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.19
Rot. Bonds1

About 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 58562577) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID58562577
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(C2=CCC3(CC2)OCCO3)CCOC1
InChIInChI=1S/C13H18O3/c1-5-13(15-9-10-16-13)6-2-11(1)12-3-7-14-8-4-12/h1,3H,2,4-10H2
InChIKeyRTJMLRKTJTZHCA-UHFFFAOYSA-N
XLogP2.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 58562577) is 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene is C1=C(C2=CCC3(CC2)OCCO3)CCOC1.
What is the InChIKey of 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is RTJMLRKTJTZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-13(15-9-10-16-13)6-2-11(1)12-3-7-14-8-4-12/h1,3H,2,4-10H2.
What are the key properties of 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 222.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dihydro-2H-pyran-4-yl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 58562577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).