2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

C17H26O2 — CID 156773033

IUPAC2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESCC1=CC(C)(C)C2(O1)C(C)=CC(=O)C(C)(C)C2(C)C
InChIInChI=1S/C17H26O2/c1-11-9-13(18)15(5,6)16(7,8)17(11)14(3,4)10-12(2)19-17/h9-10H,1-8H3
InChIKeyONCKNKZQHOPMHX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds

About 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one

2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one (PubChem CID 156773033) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one.

Molecular Properties

Compound Name2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
PubChem CID156773033
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESCC1=CC(C)(C)C2(O1)C(C)=CC(=O)C(C)(C)C2(C)C
InChIInChI=1S/C17H26O2/c1-11-9-13(18)15(5,6)16(7,8)17(11)14(3,4)10-12(2)19-17/h9-10H,1-8H3
InChIKeyONCKNKZQHOPMHX-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one with MolForge

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Related Compounds

2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one
CID 44147198
3,4-Dehydrotheaspirone
CID 10262398
8,9-Dehydrotheaspirone
CID 11745805
(5R)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 71348468
2-Methyl-3-acetyl-5-vinyl-5-(4-methyl-3-pentenyl)-4,5-dihydrofuran
CID 12717498
1-[3,3,5-trimethyl-2-(2-methylprop-1-enyl)-2H-furan-4-yl]ethanone
CID 14912356
2,6,6-trimethyl-2-prop-1-en-2-yl-5,7-dihydro-3H-1-benzofuran-4-one
CID 15448215
2,6,6,10-Tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one
CID 162937861
2,4,8,8,8a-Pentamethylcyclopenta[f][1]benzofuran-5,7-dione
CID 59449834
(4S)-2-acetyl-5,5,9-trimethyl-1-oxaspiro[3.5]nona-2,8-dien-7-one
CID 134298321
2-Methyl-1-oxaspiro[4.5]deca-2,6-dien-8-one
CID 141530491
Non-1-ene;2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one
CID 174922524

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The IUPAC name of 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one (CID 156773033) is 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one.
What is the SMILES notation for 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The canonical SMILES for 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one is CC1=CC(C)(C)C2(O1)C(C)=CC(=O)C(C)(C)C2(C)C.
What is the InChIKey of 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
The InChIKey is ONCKNKZQHOPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11-9-13(18)15(5,6)16(7,8)17(11)14(3,4)10-12(2)19-17/h9-10H,1-8H3.
What are the key properties of 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one?
2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one has a molecular weight of 262.39 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,7,7,10-octamethyl-1-oxaspiro[4.5]deca-2,9-dien-8-one is sourced from PubChem (CID 156773033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).