9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C10H16O2 — CID 143298065

IUPAC9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1(C)CC=CC2(C1)OCCO2
InChIInChI=1S/C10H16O2/c1-9(2)4-3-5-10(8-9)11-6-7-12-10/h3,5H,4,6-8H2,1-2H3
InChIKeyLKLYCDQYOMGMLL-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds

About 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 143298065) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID143298065
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1(C)CC=CC2(C1)OCCO2
InChIInChI=1S/C10H16O2/c1-9(2)4-3-5-10(8-9)11-6-7-12-10/h3,5H,4,6-8H2,1-2H3
InChIKeyLKLYCDQYOMGMLL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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

1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
CID 58005043
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 58005039
1,3-Dioxolane, 2-(3-cyclohexen-1-yl)-4-[(2-propenyloxy)methyl]-
CID 247391
4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
CID 13440554
7-Bromo-9,9-dimethyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85571060
Oct-2-en-4-one ethyleneketal
CID 129813424
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
5-(2,5-Dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 134854473
2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134980022

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 143298065) is 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1(C)CC=CC2(C1)OCCO2.
What is the InChIKey of 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is LKLYCDQYOMGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)4-3-5-10(8-9)11-6-7-12-10/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 168.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 143298065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).