(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene

C14H25BrO2 — CID 22749338

IUPAC(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene
SMILESCCOC(C)OC1/C=C(/Br)CCCCCCC1
InChIInChI=1S/C14H25BrO2/c1-3-16-12(2)17-14-10-8-6-4-5-7-9-13(15)11-14/h11-12,14H,3-10H2,1-2H3/b13-11+
InChIKeyHJSXJPJHKPTCDV-ACCUITESSA-N
MW305.26 g/mol
LogP4.78
Rot. Bonds4

About (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene

(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene (PubChem CID 22749338) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene.

Molecular Properties

Compound Name(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene
PubChem CID22749338
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene
SMILESCCOC(C)OC1/C=C(/Br)CCCCCCC1
InChIInChI=1S/C14H25BrO2/c1-3-16-12(2)17-14-10-8-6-4-5-7-9-13(15)11-14/h11-12,14H,3-10H2,1-2H3/b13-11+
InChIKeyHJSXJPJHKPTCDV-ACCUITESSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene?
The IUPAC name of (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene (CID 22749338) is (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene.
What is the SMILES notation for (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene?
The canonical SMILES for (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene is CCOC(C)OC1/C=C(/Br)CCCCCCC1.
What is the InChIKey of (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene?
The InChIKey is HJSXJPJHKPTCDV-ACCUITESSA-N. The full InChI is InChI=1S/C14H25BrO2/c1-3-16-12(2)17-14-10-8-6-4-5-7-9-13(15)11-14/h11-12,14H,3-10H2,1-2H3/b13-11+.
What are the key properties of (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene?
(1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene has a molecular weight of 305.26 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-bromo-3-(1-ethoxyethoxy)cyclodecene is sourced from PubChem (CID 22749338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).