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

C14H22O2 — CID 10443552

IUPAC2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OC(C)C(C)O2
InChIInChI=1S/C14H22O2/c1-9(2)13-7-6-10(3)14(8-13)15-11(4)12(5)16-14/h6,11-13H,1,7-8H2,2-5H3
InChIKeyVZZCTGRKLUETRH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds1

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

2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10443552) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10443552
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OC(C)C(C)O2
InChIInChI=1S/C14H22O2/c1-9(2)13-7-6-10(3)14(8-13)15-11(4)12(5)16-14/h6,11-13H,1,7-8H2,2-5H3
InChIKeyVZZCTGRKLUETRH-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.44
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 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (CID 10443552) is 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is C=C(C)C1CC=C(C)C2(C1)OC(C)C(C)O2.
What is the InChIKey of 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is VZZCTGRKLUETRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)13-7-6-10(3)14(8-13)15-11(4)12(5)16-14/h6,11-13H,1,7-8H2,2-5H3.
What are the key properties of 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 222.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10443552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).