1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane

C14H27ClO — CID 106456004

IUPAC1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane
SMILESCCCOCCC1CC(CCC)CCC1Cl
InChIInChI=1S/C14H27ClO/c1-3-5-12-6-7-14(15)13(11-12)8-10-16-9-4-2/h12-14H,3-11H2,1-2H3
InChIKeyJFGUUSRTNZZXIR-UHFFFAOYSA-N
MW246.82 g/mol
LogP4.63
Rot. Bonds7

About 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane

1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane (PubChem CID 106456004) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane
PubChem CID106456004
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane
SMILESCCCOCCC1CC(CCC)CCC1Cl
InChIInChI=1S/C14H27ClO/c1-3-5-12-6-7-14(15)13(11-12)8-10-16-9-4-2/h12-14H,3-11H2,1-2H3
InChIKeyJFGUUSRTNZZXIR-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
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

Pyran, 4-chloro-3-heptyltetrahydro-
CID 141641
4-Chloro-3-cyclohexyltetrahydropyran
CID 543344
4-Chloro-3-n-hexyltetrahydropyran
CID 534582
4-Tert-butyl-1-chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 55192064
1-Chloro-4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 61732484
1-Chloro-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 61735120
1-Chloro-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 61735333
1-Chloro-4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 63460242
1-Chloro-4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 63460414
1-Chloro-4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 63461680
1-Chloro-4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 63471867
1-Chloro-4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 63472629

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane?
The IUPAC name of 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane (CID 106456004) is 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane.
What is the SMILES notation for 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane?
The canonical SMILES for 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane is CCCOCCC1CC(CCC)CCC1Cl.
What is the InChIKey of 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane?
The InChIKey is JFGUUSRTNZZXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-3-5-12-6-7-14(15)13(11-12)8-10-16-9-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane?
1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane has a molecular weight of 246.82 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane is sourced from PubChem (CID 106456004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).