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

C14H22O2 — CID 10353517

IUPAC3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OCC(CC)O2
InChIInChI=1S/C14H22O2/c1-5-13-9-15-14(16-13)8-12(10(2)3)7-6-11(14)4/h6,12-13H,2,5,7-9H2,1,3-4H3
InChIKeyUGKBKDQEDCQPCA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds2

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

3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10353517) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10353517
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OCC(CC)O2
InChIInChI=1S/C14H22O2/c1-5-13-9-15-14(16-13)8-12(10(2)3)7-6-11(14)4/h6,12-13H,2,5,7-9H2,1,3-4H3
InChIKeyUGKBKDQEDCQPCA-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (CID 10353517) is 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is C=C(C)C1CC=C(C)C2(C1)OCC(CC)O2.
What is the InChIKey of 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is UGKBKDQEDCQPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13-9-15-14(16-13)8-12(10(2)3)7-6-11(14)4/h6,12-13H,2,5,7-9H2,1,3-4H3.
What are the key properties of 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
3-ethyl-6-methyl-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, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10353517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).