1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane

C15H27BrO — CID 65001029

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
SMILESCCC1CCCCC1OCC1(CBr)CCCC1
InChIInChI=1S/C15H27BrO/c1-2-13-7-3-4-8-14(13)17-12-15(11-16)9-5-6-10-15/h13-14H,2-12H2,1H3
InChIKeyZWXNKMXZNMKTGB-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.93
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane

1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane (PubChem CID 65001029) has the molecular formula C15H27BrO and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
PubChem CID65001029
Molecular FormulaC15H27BrO
Molecular Weight303.28 g/mol
Exact Mass302.12
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
SMILESCCC1CCCCC1OCC1(CBr)CCCC1
InChIInChI=1S/C15H27BrO/c1-2-13-7-3-4-8-14(13)17-12-15(11-16)9-5-6-10-15/h13-14H,2-12H2,1H3
InChIKeyZWXNKMXZNMKTGB-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane (CID 65001029) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane is CCC1CCCCC1OCC1(CBr)CCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane?
The InChIKey is ZWXNKMXZNMKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO/c1-2-13-7-3-4-8-14(13)17-12-15(11-16)9-5-6-10-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane has a molecular weight of 303.28 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane is sourced from PubChem (CID 65001029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).