8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene

C18H18O2 — CID 134381562

IUPAC8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccc3ccccc3c2)CCC2(C1)OCCO2
InChIInChI=1S/C18H18O2/c1-2-4-16-13-17(6-5-14(16)3-1)15-7-9-18(10-8-15)19-11-12-20-18/h1-7,13H,8-12H2
InChIKeyQIFYMXNSFWSEAA-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.15
Rot. Bonds1

About 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene

8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 134381562) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID134381562
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccc3ccccc3c2)CCC2(C1)OCCO2
InChIInChI=1S/C18H18O2/c1-2-4-16-13-17(6-5-14(16)3-1)15-7-9-18(10-8-15)19-11-12-20-18/h1-7,13H,8-12H2
InChIKeyQIFYMXNSFWSEAA-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene (CID 134381562) is 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene is C1=C(c2ccc3ccccc3c2)CCC2(C1)OCCO2.
What is the InChIKey of 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is QIFYMXNSFWSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-4-16-13-17(6-5-14(16)3-1)15-7-9-18(10-8-15)19-11-12-20-18/h1-7,13H,8-12H2.
What are the key properties of 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene?
8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 266.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 134381562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).