bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane

C35H95BrO2 — CID 161103226

IUPACbromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane
SMILESC.C.C.C.C.C.C1CCCC1.C1CCCC1.C1CCCC1.CC.CC.CC.CC.CCBr.CCOC.CO
InChIInChI=1S/3C5H10.C3H8O.C2H5Br.4C2H6.CH4O.6CH4/c3*1-2-4-5-3-1;1-3-4-2;1-2-3;5*1-2;;;;;;/h3*1-5H2;3H2,1-2H3;2H2,1H3;4*1-2H3;2H,1H3;6*1H4
InChIKeyUISAONCAOISSBW-UHFFFAOYSA-N
MW628.05 g/mol
LogP15.44
Rot. Bonds1

About bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane

bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane (PubChem CID 161103226) has the molecular formula C35H95BrO2 and a molecular weight of 628.05 g/mol. Its IUPAC name is bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane.

Molecular Properties

Compound Namebromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane
PubChem CID161103226
Molecular FormulaC35H95BrO2
Molecular Weight628.05 g/mol
Exact Mass626.65
IUPAC Namebromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane
SMILESC.C.C.C.C.C.C1CCCC1.C1CCCC1.C1CCCC1.CC.CC.CC.CC.CCBr.CCOC.CO
InChIInChI=1S/3C5H10.C3H8O.C2H5Br.4C2H6.CH4O.6CH4/c3*1-2-4-5-3-1;1-3-4-2;1-2-3;5*1-2;;;;;;/h3*1-5H2;3H2,1-2H3;2H2,1H3;4*1-2H3;2H,1H3;6*1H4
InChIKeyUISAONCAOISSBW-UHFFFAOYSA-N
XLogP15.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.05
LogP ≤ 515.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane?
The IUPAC name of bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane (CID 161103226) is bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane.
What is the SMILES notation for bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane?
The canonical SMILES for bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane is C.C.C.C.C.C.C1CCCC1.C1CCCC1.C1CCCC1.CC.CC.CC.CC.CCBr.CCOC.CO.
What is the InChIKey of bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane?
The InChIKey is UISAONCAOISSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H10.C3H8O.C2H5Br.4C2H6.CH4O.6CH4/c3*1-2-4-5-3-1;1-3-4-2;1-2-3;5*1-2;;;;;;/h3*1-5H2;3H2,1-2H3;2H2,1H3;4*1-2H3;2H,1H3;6*1H4.
What are the key properties of bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane?
bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane has a molecular weight of 628.05 g/mol, XLogP of 15.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane is sourced from PubChem (CID 161103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).