1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane

C18H33BrO — CID 63470253

IUPAC1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane
SMILESCCCC1CCC(CBr)(OC2CCCCC2CC)CC1
InChIInChI=1S/C18H33BrO/c1-3-7-15-10-12-18(14-19,13-11-15)20-17-9-6-5-8-16(17)4-2/h15-17H,3-14H2,1-2H3
InChIKeyAJPMPJJCJJRVMA-UHFFFAOYSA-N
MW345.37 g/mol
LogP6.10
Rot. Bonds6

About 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane

1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane (PubChem CID 63470253) has the molecular formula C18H33BrO and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane
PubChem CID63470253
Molecular FormulaC18H33BrO
Molecular Weight345.37 g/mol
Exact Mass344.17
IUPAC Name1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane
SMILESCCCC1CCC(CBr)(OC2CCCCC2CC)CC1
InChIInChI=1S/C18H33BrO/c1-3-7-15-10-12-18(14-19,13-11-15)20-17-9-6-5-8-16(17)4-2/h15-17H,3-14H2,1-2H3
InChIKeyAJPMPJJCJJRVMA-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
CID 63468809
1-(bromomethyl)-1-(2-butoxyethoxy)-4-propylcyclohexane
CID 63476016
2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid
CID 103272485
N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine
CID 63473906
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
1-(2-ethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 63861268
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane
CID 63470245
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773990
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
1-bromo-2-(2-ethylcyclohexyl)oxycyclooctane
CID 114772757

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane (CID 63470253) is 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane is CCCC1CCC(CBr)(OC2CCCCC2CC)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane?
The InChIKey is AJPMPJJCJJRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33BrO/c1-3-7-15-10-12-18(14-19,13-11-15)20-17-9-6-5-8-16(17)4-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane?
1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane has a molecular weight of 345.37 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane is sourced from PubChem (CID 63470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).