1-(bromomethylidene)-4-methylcyclohexane

C8H13Br — CID 10375398

IUPAC1-(bromomethylidene)-4-methylcyclohexane
SMILESCC1CCC(=CBr)CC1
InChIInChI=1S/C8H13Br/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3/b8-6-
InChIKeyAPDZMZZCCYYOQD-VURMDHGXSA-N
MW189.10 g/mol
LogP3.48
Rot. Bonds

About 1-(bromomethylidene)-4-methylcyclohexane

1-(bromomethylidene)-4-methylcyclohexane (PubChem CID 10375398) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is 1-(bromomethylidene)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(bromomethylidene)-4-methylcyclohexane
PubChem CID10375398
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name1-(bromomethylidene)-4-methylcyclohexane
SMILESCC1CCC(=CBr)CC1
InChIInChI=1S/C8H13Br/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3/b8-6-
InChIKeyAPDZMZZCCYYOQD-VURMDHGXSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethylidene)-4-methylcyclohexane?
The IUPAC name of 1-(bromomethylidene)-4-methylcyclohexane (CID 10375398) is 1-(bromomethylidene)-4-methylcyclohexane.
What is the SMILES notation for 1-(bromomethylidene)-4-methylcyclohexane?
The canonical SMILES for 1-(bromomethylidene)-4-methylcyclohexane is CC1CCC(=CBr)CC1.
What is the InChIKey of 1-(bromomethylidene)-4-methylcyclohexane?
The InChIKey is APDZMZZCCYYOQD-VURMDHGXSA-N. The full InChI is InChI=1S/C8H13Br/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3/b8-6-.
What are the key properties of 1-(bromomethylidene)-4-methylcyclohexane?
1-(bromomethylidene)-4-methylcyclohexane has a molecular weight of 189.10 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethylidene)-4-methylcyclohexane is sourced from PubChem (CID 10375398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).