2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene

C10H16O2 — CID 11355699

IUPAC2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene
SMILESCC1=CC2(CC1)COC(C)(C)O2
InChIInChI=1S/C10H16O2/c1-8-4-5-10(6-8)7-11-9(2,3)12-10/h6H,4-5,7H2,1-3H3
InChIKeyCSBFBGARWHWZOP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene

2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene (PubChem CID 11355699) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene.

Molecular Properties

Compound Name2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene
PubChem CID11355699
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene
SMILESCC1=CC2(CC1)COC(C)(C)O2
InChIInChI=1S/C10H16O2/c1-8-4-5-10(6-8)7-11-9(2,3)12-10/h6H,4-5,7H2,1-3H3
InChIKeyCSBFBGARWHWZOP-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
4,8,8-Trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
CID 12971958
(3R)-3-methyl-3-[[(2R,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111177
(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111178
(5R)-7,7,9-trimethyl-1,6-dioxaspiro[4.5]dec-9-ene
CID 101805737
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
CID 134960666
(3aS,4S,7aR)-2,2,4,7a-tetramethyl-4,5-dihydro-3aH-1,3-benzodioxole
CID 21670914
3-Ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10353517
6-Methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10397741
2,3,6-Trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10443552
3,6-Dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10465653

Frequently Asked Questions

What is the IUPAC name of 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene?
The IUPAC name of 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene (CID 11355699) is 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene.
What is the SMILES notation for 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene?
The canonical SMILES for 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene is CC1=CC2(CC1)COC(C)(C)O2.
What is the InChIKey of 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene?
The InChIKey is CSBFBGARWHWZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-5-10(6-8)7-11-9(2,3)12-10/h6H,4-5,7H2,1-3H3.
What are the key properties of 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene?
2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-1,3-dioxaspiro[4.4]non-8-ene is sourced from PubChem (CID 11355699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).