1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane

C14H27BrO2 — CID 103490005

IUPAC1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
SMILESCCOCC(C)OC1(CBr)CCC(CC)CC1
InChIInChI=1S/C14H27BrO2/c1-4-13-6-8-14(11-15,9-7-13)17-12(3)10-16-5-2/h12-13H,4-11H2,1-3H3
InChIKeyUQQVOYDYKHZLAR-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.16
Rot. Bonds7

About 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane

1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane (PubChem CID 103490005) has the molecular formula C14H27BrO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
PubChem CID103490005
Molecular FormulaC14H27BrO2
Molecular Weight307.27 g/mol
Exact Mass306.12
IUPAC Name1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
SMILESCCOCC(C)OC1(CBr)CCC(CC)CC1
InChIInChI=1S/C14H27BrO2/c1-4-13-6-8-14(11-15,9-7-13)17-12(3)10-16-5-2/h12-13H,4-11H2,1-3H3
InChIKeyUQQVOYDYKHZLAR-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane (CID 103490005) is 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane is CCOCC(C)OC1(CBr)CCC(CC)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane?
The InChIKey is UQQVOYDYKHZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO2/c1-4-13-6-8-14(11-15,9-7-13)17-12(3)10-16-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane?
1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane has a molecular weight of 307.27 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane is sourced from PubChem (CID 103490005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).