ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene

C16H22O2 — CID 91004379

IUPACethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccccc2)CCC2(C1)OCCO2.CC
InChIInChI=1S/C14H16O2.C2H6/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14;1-2/h1-6H,7-11H2;1-2H3
InChIKeyARBUEJNMHVUGJW-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.02
Rot. Bonds1

About ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene

ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 91004379) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Nameethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID91004379
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccccc2)CCC2(C1)OCCO2.CC
InChIInChI=1S/C14H16O2.C2H6/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14;1-2/h1-6H,7-11H2;1-2H3
InChIKeyARBUEJNMHVUGJW-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzonitrile;ethane
CID 142251345
8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
CID 134381562
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
CID 130331777
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzonitrile
CID 21187680
[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol
CID 59541120
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one
CID 66750331
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one
CID 59541867
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one
CID 123449596
3-[4-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methoxy]phenyl]propanoic acid
CID 130350894
2-[5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-oxo-1-pyridinyl]acetonitrile
CID 87134664
1,4-dioxaspiro[4.5]dec-7-ene-8-thiol
CID 141171889

Frequently Asked Questions

What is the IUPAC name of ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 91004379) is ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene is C1=C(c2ccccc2)CCC2(C1)OCCO2.CC.
What is the InChIKey of ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is ARBUEJNMHVUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2.C2H6/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14;1-2/h1-6H,7-11H2;1-2H3.
What are the key properties of ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene?
ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 246.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 91004379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).