4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane

C14H25BrO2 — CID 65004580

IUPAC4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane
SMILESCC1CCCCC1OCC1(CBr)CCOCC1
InChIInChI=1S/C14H25BrO2/c1-12-4-2-3-5-13(12)17-11-14(10-15)6-8-16-9-7-14/h12-13H,2-11H2,1H3
InChIKeyCQNBWDJDZGVNFD-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.77
Rot. Bonds4

About 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane

4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane (PubChem CID 65004580) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane.

Molecular Properties

Compound Name4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane
PubChem CID65004580
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane
SMILESCC1CCCCC1OCC1(CBr)CCOCC1
InChIInChI=1S/C14H25BrO2/c1-12-4-2-3-5-13(12)17-11-14(10-15)6-8-16-9-7-14/h12-13H,2-11H2,1H3
InChIKeyCQNBWDJDZGVNFD-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
CID 65001081
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
4-(bromomethyl)-4-(cyclopentylsulfanylmethyl)oxane
CID 65004441
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
CID 115440228
4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane
CID 65004533
4-(bromomethyl)-4-(4-methylpentyl)oxane
CID 83168882

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane?
The IUPAC name of 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane (CID 65004580) is 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane.
What is the SMILES notation for 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane?
The canonical SMILES for 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane is CC1CCCCC1OCC1(CBr)CCOCC1.
What is the InChIKey of 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane?
The InChIKey is CQNBWDJDZGVNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2/c1-12-4-2-3-5-13(12)17-11-14(10-15)6-8-16-9-7-14/h12-13H,2-11H2,1H3.
What are the key properties of 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane?
4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane has a molecular weight of 305.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane is sourced from PubChem (CID 65004580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).