(5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one

C12H17BrO2 — CID 11173341

IUPAC(5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one
SMILESO=C1O/C(=C/Br)CC1CC1CCCCC1
InChIInChI=1S/C12H17BrO2/c13-8-11-7-10(12(14)15-11)6-9-4-2-1-3-5-9/h8-10H,1-7H2/b11-8+
InChIKeyITLNDBXBYBCWOU-DHZHZOJOSA-N
MW273.17 g/mol
LogP3.76
Rot. Bonds2

About (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one

(5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one (PubChem CID 11173341) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one
PubChem CID11173341
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name(5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one
SMILESO=C1O/C(=C/Br)CC1CC1CCCCC1
InChIInChI=1S/C12H17BrO2/c13-8-11-7-10(12(14)15-11)6-9-4-2-1-3-5-9/h8-10H,1-7H2/b11-8+
InChIKeyITLNDBXBYBCWOU-DHZHZOJOSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one?
The IUPAC name of (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one (CID 11173341) is (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one.
What is the SMILES notation for (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one?
The canonical SMILES for (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one is O=C1O/C(=C/Br)CC1CC1CCCCC1.
What is the InChIKey of (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one?
The InChIKey is ITLNDBXBYBCWOU-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H17BrO2/c13-8-11-7-10(12(14)15-11)6-9-4-2-1-3-5-9/h8-10H,1-7H2/b11-8+.
What are the key properties of (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one?
(5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one has a molecular weight of 273.17 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(bromomethylidene)-3-(cyclohexylmethyl)oxolan-2-one is sourced from PubChem (CID 11173341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).