2-(2-bromo-2-dodecylcyclohexyl)ethanol

C20H39BrO — CID 122612047

IUPAC2-(2-bromo-2-dodecylcyclohexyl)ethanol
SMILESCCCCCCCCCCCCC1(Br)CCCCC1CCO
InChIInChI=1S/C20H39BrO/c1-2-3-4-5-6-7-8-9-10-12-16-20(21)17-13-11-14-19(20)15-18-22/h19,22H,2-18H2,1H3
InChIKeyIAGDVVSQZIVZTF-UHFFFAOYSA-N
MW375.44 g/mol
LogP7.00
Rot. Bonds13

About 2-(2-bromo-2-dodecylcyclohexyl)ethanol

2-(2-bromo-2-dodecylcyclohexyl)ethanol (PubChem CID 122612047) has the molecular formula C20H39BrO and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-(2-bromo-2-dodecylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-2-dodecylcyclohexyl)ethanol
PubChem CID122612047
Molecular FormulaC20H39BrO
Molecular Weight375.44 g/mol
Exact Mass374.22
IUPAC Name2-(2-bromo-2-dodecylcyclohexyl)ethanol
SMILESCCCCCCCCCCCCC1(Br)CCCCC1CCO
InChIInChI=1S/C20H39BrO/c1-2-3-4-5-6-7-8-9-10-12-16-20(21)17-13-11-14-19(20)15-18-22/h19,22H,2-18H2,1H3
InChIKeyIAGDVVSQZIVZTF-UHFFFAOYSA-N
XLogP7.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-2-hexadecylcyclohexyl)ethanol
CID 122610718
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
phosphane;1,1,2-trihexyl-6-octylcyclohexane
CID 118159998
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol
CID 150682925
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
CID 11240783
4-octylspiro[4.5]decane
CID 139968258
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
(1-hexylcyclohexyl)methanol
CID 66024993
1,1-dimethoxy-2-octylcyclododecane
CID 134883102

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-dodecylcyclohexyl)ethanol?
The IUPAC name of 2-(2-bromo-2-dodecylcyclohexyl)ethanol (CID 122612047) is 2-(2-bromo-2-dodecylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-bromo-2-dodecylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-bromo-2-dodecylcyclohexyl)ethanol is CCCCCCCCCCCCC1(Br)CCCCC1CCO.
What is the InChIKey of 2-(2-bromo-2-dodecylcyclohexyl)ethanol?
The InChIKey is IAGDVVSQZIVZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39BrO/c1-2-3-4-5-6-7-8-9-10-12-16-20(21)17-13-11-14-19(20)15-18-22/h19,22H,2-18H2,1H3.
What are the key properties of 2-(2-bromo-2-dodecylcyclohexyl)ethanol?
2-(2-bromo-2-dodecylcyclohexyl)ethanol has a molecular weight of 375.44 g/mol, XLogP of 7.00, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-dodecylcyclohexyl)ethanol is sourced from PubChem (CID 122612047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).