2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene

C10H16O2 — CID 91988422

IUPAC2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCC1CCOC12C=CC(C)(C)O2
InChIInChI=1S/C10H16O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h5-6,8H,4,7H2,1-3H3
InChIKeyTUULQRCVCSSYFQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.10
Rot. Bonds

About 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene

2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 91988422) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID91988422
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCC1CCOC12C=CC(C)(C)O2
InChIInChI=1S/C10H16O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h5-6,8H,4,7H2,1-3H3
InChIKeyTUULQRCVCSSYFQ-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,7,7-Tetramethyl-1,6-dioxaspiro(4.4)non-3-ene
CID 10899299
(5R)-2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 101921734
5-Methylmethoxy-7-oxanorbornene
CID 129694623
(5R,9S)-2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 101921735
(5R,9R)-2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene
CID 101921736
Tert-butyl 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl carbonate
CID 60016228
5-[Bis[(2-methylpropan-2-yl)oxy]methyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 70171305
2-[3-(methoxymethoxy)propyl]-5,5-dimethyl-2H-furan
CID 141106568
1-Methoxy-6-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 150102089
2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxolane
CID 10375177
(5R)-4,6-dioxadispiro[4.1.57.25]tetradec-13-ene
CID 101805739
(3S)-3-methyl-1,10-dioxaspiro[4.5]dec-6-ene
CID 101884548

Frequently Asked Questions

What is the IUPAC name of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene (CID 91988422) is 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene is CC1CCOC12C=CC(C)(C)O2.
What is the InChIKey of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is TUULQRCVCSSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene?
2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 168.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 91988422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).