3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene

C13H20O2 — CID 10465653

IUPAC3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OCC(C)O2
InChIInChI=1S/C13H20O2/c1-9(2)12-6-5-10(3)13(7-12)14-8-11(4)15-13/h5,11-12H,1,6-8H2,2-4H3
InChIKeyCCCGYWFXYUESDG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds1

About 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene

3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10465653) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10465653
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OCC(C)O2
InChIInChI=1S/C13H20O2/c1-9(2)12-6-5-10(3)13(7-12)14-8-11(4)15-13/h5,11-12H,1,6-8H2,2-4H3
InChIKeyCCCGYWFXYUESDG-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (CID 10465653) is 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is C=C(C)C1CC=C(C)C2(C1)OCC(C)O2.
What is the InChIKey of 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is CCCGYWFXYUESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)12-6-5-10(3)13(7-12)14-8-11(4)15-13/h5,11-12H,1,6-8H2,2-4H3.
What are the key properties of 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10465653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).