6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane

C12H20O2 — CID 567459

IUPAC6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=CC1CCCCC12OCCO2
InChIInChI=1S/C12H20O2/c1-10(2)9-11-5-3-4-6-12(11)13-7-8-14-12/h9,11H,3-8H2,1-2H3
InChIKeyIUWGJCDGWHNPOO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds1

About 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane

6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 567459) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane
PubChem CID567459
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)=CC1CCCCC12OCCO2
InChIInChI=1S/C12H20O2/c1-10(2)9-11-5-3-4-6-12(11)13-7-8-14-12/h9,11H,3-8H2,1-2H3
InChIKeyIUWGJCDGWHNPOO-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 3115170
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
6-(Prop-2-en-1-yl)-1,4-dioxaspiro[4.5]decane
CID 265136
2-(2,6,6-Trimethylcyclohex-2-en-1-yl)-1,3-dioxolane
CID 15402297
2-(4,6-Dimethyl-3-cyclohexen-1-yl)-1,3-dioxolane
CID 3759165
1,3-Dioxolane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-
CID 106947
8-Propylidene-1,4-dioxaspiro[4.5]decane
CID 102119364
2-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 764100
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
CID 12435758
2-Methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 14785781
(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 15455778

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane (CID 567459) is 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane is CC(C)=CC1CCCCC12OCCO2.
What is the InChIKey of 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is IUWGJCDGWHNPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)9-11-5-3-4-6-12(11)13-7-8-14-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane?
6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 567459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).