6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene

C14H24O — CID 171417504

IUPAC6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene
SMILESCC(C)C1=C(C(C)C)OCC2(CC1)CC2
InChIInChI=1S/C14H24O/c1-10(2)12-5-6-14(7-8-14)9-15-13(12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyRMJZTRNHJXKMMJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.14
Rot. Bonds2

About 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene

6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene (PubChem CID 171417504) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene
PubChem CID171417504
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene
SMILESCC(C)C1=C(C(C)C)OCC2(CC1)CC2
InChIInChI=1S/C14H24O/c1-10(2)12-5-6-14(7-8-14)9-15-13(12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyRMJZTRNHJXKMMJ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene?
The IUPAC name of 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene (CID 171417504) is 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene.
What is the SMILES notation for 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene?
The canonical SMILES for 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene is CC(C)C1=C(C(C)C)OCC2(CC1)CC2.
What is the InChIKey of 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene?
The InChIKey is RMJZTRNHJXKMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10(2)12-5-6-14(7-8-14)9-15-13(12)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene?
6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene has a molecular weight of 208.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-5-oxaspiro[2.6]non-6-ene is sourced from PubChem (CID 171417504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).