1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane

C15H29BrO — CID 103285066

IUPAC1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane
SMILESCCCC(C)COC1(CBr)CCC(CC)CC1
InChIInChI=1S/C15H29BrO/c1-4-6-13(3)11-17-15(12-16)9-7-14(5-2)8-10-15/h13-14H,4-12H2,1-3H3
InChIKeyHPCUYAKWWBUADM-UHFFFAOYSA-N
MW305.30 g/mol
LogP5.17
Rot. Bonds7

About 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane

1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane (PubChem CID 103285066) has the molecular formula C15H29BrO and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane
PubChem CID103285066
Molecular FormulaC15H29BrO
Molecular Weight305.30 g/mol
Exact Mass304.14
IUPAC Name1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane
SMILESCCCC(C)COC1(CBr)CCC(CC)CC1
InChIInChI=1S/C15H29BrO/c1-4-6-13(3)11-17-15(12-16)9-7-14(5-2)8-10-15/h13-14H,4-12H2,1-3H3
InChIKeyHPCUYAKWWBUADM-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.30
LogP ≤ 55.17
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)-4-ethyl-1-heptoxycyclohexane
CID 63475655
1-(bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 62107098
1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
CID 103490005
1-(iodomethyl)-1-(2-methylpentoxy)-4-propan-2-ylcyclohexane
CID 103285102
1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
CID 63468809
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
1-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
CID 65052309
3-[1-(bromomethyl)-4-ethylcyclohexyl]oxypropylbenzene
CID 63474419
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 82007464
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
CID 65151311
[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane?
The IUPAC name of 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane (CID 103285066) is 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane is CCCC(C)COC1(CBr)CCC(CC)CC1.
What is the InChIKey of 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane?
The InChIKey is HPCUYAKWWBUADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrO/c1-4-6-13(3)11-17-15(12-16)9-7-14(5-2)8-10-15/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane?
1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane has a molecular weight of 305.30 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane is sourced from PubChem (CID 103285066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).