(2R)-2-chloro-1,4-diethylcyclohexane

C10H19Cl — CID 58445540

IUPAC(2R)-2-chloro-1,4-diethylcyclohexane
SMILESCCC1CCC(CC)[C@H](Cl)C1
InChIInChI=1S/C10H19Cl/c1-3-8-5-6-9(4-2)10(11)7-8/h8-10H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyUVDJGQBOKPXKSY-UDNWOFFPSA-N
MW174.71 g/mol
LogP3.83
Rot. Bonds2

About (2R)-2-chloro-1,4-diethylcyclohexane

(2R)-2-chloro-1,4-diethylcyclohexane (PubChem CID 58445540) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is (2R)-2-chloro-1,4-diethylcyclohexane.

Molecular Properties

Compound Name(2R)-2-chloro-1,4-diethylcyclohexane
PubChem CID58445540
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name(2R)-2-chloro-1,4-diethylcyclohexane
SMILESCCC1CCC(CC)[C@H](Cl)C1
InChIInChI=1S/C10H19Cl/c1-3-8-5-6-9(4-2)10(11)7-8/h8-10H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyUVDJGQBOKPXKSY-UDNWOFFPSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-ethyl-1-methylcyclohexane
CID 89207092
cis-(1R,2R)-1-chloro-2-ethylcyclopropane
CID 13214081
1,3-diethylcyclopentane
CID 530396
1-chloro-2-(cyclopentylmethyl)-4-ethylcyclohexane
CID 63461508
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-chloro-4-ethyl-2-(3-methylsulfonylpropyl)cyclohexane
CID 63195682
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
1-chloro-2-ethyl-4-methylcyclopentane
CID 174663037
2-chloro-1-[2-(4-methylcyclohexyl)propyl]-4-propylcyclohexane
CID 143290000
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1,4-diethylcyclohexane?
The IUPAC name of (2R)-2-chloro-1,4-diethylcyclohexane (CID 58445540) is (2R)-2-chloro-1,4-diethylcyclohexane.
What is the SMILES notation for (2R)-2-chloro-1,4-diethylcyclohexane?
The canonical SMILES for (2R)-2-chloro-1,4-diethylcyclohexane is CCC1CCC(CC)[C@H](Cl)C1.
What is the InChIKey of (2R)-2-chloro-1,4-diethylcyclohexane?
The InChIKey is UVDJGQBOKPXKSY-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H19Cl/c1-3-8-5-6-9(4-2)10(11)7-8/h8-10H,3-7H2,1-2H3/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-chloro-1,4-diethylcyclohexane?
(2R)-2-chloro-1,4-diethylcyclohexane has a molecular weight of 174.71 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1,4-diethylcyclohexane is sourced from PubChem (CID 58445540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).