6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene

C14H23BrO2 — CID 139606283

IUPAC6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCC1=C(C)C(Br)C2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C14H23BrO2/c1-6-11-10(3)12(15)14(8-13(11,4)5)16-7-9(2)17-14/h9,12H,6-8H2,1-5H3
InChIKeySUFFCFWQTFBSQR-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.04
Rot. Bonds1

About 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene

6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 139606283) has the molecular formula C14H23BrO2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID139606283
Molecular FormulaC14H23BrO2
Molecular Weight303.24 g/mol
Exact Mass302.09
IUPAC Name6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCC1=C(C)C(Br)C2(CC1(C)C)OCC(C)O2
InChIInChI=1S/C14H23BrO2/c1-6-11-10(3)12(15)14(8-13(11,4)5)16-7-9(2)17-14/h9,12H,6-8H2,1-5H3
InChIKeySUFFCFWQTFBSQR-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 139606283) is 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene is CCC1=C(C)C(Br)C2(CC1(C)C)OCC(C)O2.
What is the InChIKey of 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is SUFFCFWQTFBSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2/c1-6-11-10(3)12(15)14(8-13(11,4)5)16-7-9(2)17-14/h9,12H,6-8H2,1-5H3.
What are the key properties of 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene?
6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 303.24 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 139606283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).