2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene

C14H24O — CID 67389667

IUPAC2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene
SMILESCC1C=CC2(O1)C(C)CCC(C)C2(C)C
InChIInChI=1S/C14H24O/c1-10-6-7-11(2)14(13(10,4)5)9-8-12(3)15-14/h8-12H,6-7H2,1-5H3
InChIKeyZILZNYQNIIAZMY-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds

About 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene

2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 67389667) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID67389667
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene
SMILESCC1C=CC2(O1)C(C)CCC(C)C2(C)C
InChIInChI=1S/C14H24O/c1-10-6-7-11(2)14(13(10,4)5)9-8-12(3)15-14/h8-12H,6-7H2,1-5H3
InChIKeyZILZNYQNIIAZMY-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene (CID 67389667) is 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene is CC1C=CC2(O1)C(C)CCC(C)C2(C)C.
What is the InChIKey of 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is ZILZNYQNIIAZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-6-7-11(2)14(13(10,4)5)9-8-12(3)15-14/h8-12H,6-7H2,1-5H3.
What are the key properties of 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene?
2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 208.34 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,7,10-pentamethyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 67389667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).