4-bromo-1-methoxy-2-methylidenecyclohexane

C8H13BrO — CID 90971769

IUPAC4-bromo-1-methoxy-2-methylidenecyclohexane
SMILESC=C1CC(Br)CCC1OC
InChIInChI=1S/C8H13BrO/c1-6-5-7(9)3-4-8(6)10-2/h7-8H,1,3-5H2,2H3
InChIKeyOTPLQBXCQIYOEL-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.51
Rot. Bonds1

About 4-bromo-1-methoxy-2-methylidenecyclohexane

4-bromo-1-methoxy-2-methylidenecyclohexane (PubChem CID 90971769) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-methylidenecyclohexane.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-methylidenecyclohexane
PubChem CID90971769
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name4-bromo-1-methoxy-2-methylidenecyclohexane
SMILESC=C1CC(Br)CCC1OC
InChIInChI=1S/C8H13BrO/c1-6-5-7(9)3-4-8(6)10-2/h7-8H,1,3-5H2,2H3
InChIKeyOTPLQBXCQIYOEL-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-methylidenecyclohexane?
The IUPAC name of 4-bromo-1-methoxy-2-methylidenecyclohexane (CID 90971769) is 4-bromo-1-methoxy-2-methylidenecyclohexane.
What is the SMILES notation for 4-bromo-1-methoxy-2-methylidenecyclohexane?
The canonical SMILES for 4-bromo-1-methoxy-2-methylidenecyclohexane is C=C1CC(Br)CCC1OC.
What is the InChIKey of 4-bromo-1-methoxy-2-methylidenecyclohexane?
The InChIKey is OTPLQBXCQIYOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c1-6-5-7(9)3-4-8(6)10-2/h7-8H,1,3-5H2,2H3.
What are the key properties of 4-bromo-1-methoxy-2-methylidenecyclohexane?
4-bromo-1-methoxy-2-methylidenecyclohexane has a molecular weight of 205.09 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-methylidenecyclohexane is sourced from PubChem (CID 90971769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).